CS-1047726
Ethyl 6-(prop-2-yn-1-yloxy)hexanoate
Manufacturer: ChemScene
CAS Number: 797815-88-4
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₁H₁₈O₃
Molecular Weight
198.26
Synonyms
None
SMILES
O=C(OCC)CCCCCOCC#C
Tpsa
35.53
Logp
1.7597
H Acceptors
3
H Donors
0
Rotatable Bonds
8
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₈O₃
Molecular Weight: 198.26
Synonyms: None
SMILES: O=C(OCC)CCCCCOCC#C
Tpsa: 35.53
Logp: 1.7597
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₈O₃
Molecular Weight:
198.26
Synonyms:
None
SMILES:
O=C(OCC)CCCCCOCC#C
Tpsa:
35.53
Logp:
1.7597
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₄O₃
Molecular Weight: 170.21
Synonyms: None
SMILES: O=C(O)CCCCCOCC#C
Tpsa: 46.53
Logp: 1.2812
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₄O₃
Molecular Weight:
170.21
Synonyms:
None
SMILES:
O=C(O)CCCCCOCC#C
Tpsa:
46.53
Logp:
1.2812
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₄₇NO₄
Molecular Weight: 521.73
Synonyms: None
SMILES: O=C(O)CCCCCCCCCCCCCCCCCNC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O
Tpsa: 75.63
Logp: 8.8513
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 20
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₄₇NO₄
Molecular Weight:
521.73
Synonyms:
None
SMILES:
O=C(O)CCCCCCCCCCCCCCCCCNC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O
Tpsa:
75.63
Logp:
8.8513
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
20
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂₆H₁₉₂N₁₃O₄₃P
Molecular Weight: 2607.91
Synonyms: None
SMILES: O=C(NC(COCCC(NCCCNC(CCCCO[C@H]1[C@H](NC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)C(COC(C)=O)O1)=O)=O)(COCCC(NCCCNC(CCCCO[C@H]2[C@@H](NC(C)=O)[C@H](OC(C)=O)C(OC(C)=O)C(COC(C)=O)O2)=O)=O)COCCC(NCCCNC(CCCCO[C@H]3[C@H](NC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)C(COC(C)=O)O3)=O)=O)CCCCCCCCCCC(N4C[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)C[C@@H]4COC(C5=CC=CC=C5)(C6=CC=C(OC)C=C6)C7=CC=C(OC)C=C7)=O
Tpsa: 704.26
Logp: 7.64698
H Acceptors: 45
H Donors: 10
Rotatable Bonds: 88
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂₆H₁₉₂N₁₃O₄₃P
Molecular Weight:
2607.91
Synonyms:
None
SMILES:
O=C(NC(COCCC(NCCCNC(CCCCO[C@H]1[C@H](NC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)C(COC(C)=O)O1)=O)=O)(COCCC(NCCCNC(CCCCO[C@H]2[C@@H](NC(C)=O)[C@H](OC(C)=O)C(OC(C)=O)C(COC(C)=O)O2)=O)=O)COCCC(NCCCNC(CCCCO[C@H]3[C@H](NC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)C(COC(C)=O)O3)=O)=O)CCCCCCCCCCC(N4C[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)C[C@@H]4COC(C5=CC=CC=C5)(C6=CC=C(OC)C=C6)C7=CC=C(OC)C=C7)=O
Tpsa:
704.26
Logp:
7.64698
H Acceptors:
45
H Donors:
10
Rotatable Bonds:
88