CS-0227542
Ethyl 5,5-dimethylocta-2,7-diynoate
Manufacturer: ChemScene
CAS Number: 2557181-92-5
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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
C₁₂H₁₆O₂
Molecular Weight
192.25
Synonyms
2,7-Octadiynoic acid, 5,5-dimethyl-, ethyl ester
SMILES
C#CCC(C)(C)CC#CC(OCC)=O
Tpsa
26.3
Logp
1.9925
H Acceptors
2
H Donors
0
Rotatable Bonds
3
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: C₁₂H₁₆O₂
Molecular Weight: 192.25
Synonyms: 2,7-Octadiynoic acid, 5,5-dimethyl-, ethyl ester
SMILES: C#CCC(C)(C)CC#CC(OCC)=O
Tpsa: 26.3
Logp: 1.9925
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₆O₂
Molecular Weight:
192.25
Synonyms:
2,7-Octadiynoic acid, 5,5-dimethyl-, ethyl ester
SMILES:
C#CCC(C)(C)CC#CC(OCC)=O
Tpsa:
26.3
Logp:
1.9925
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₄O₂
Molecular Weight: 190.24
Synonyms: 1H-Indene-5-carboxylic acid, 2,3-dihydro-2,2-dimethyl-
SMILES: O=C(C1=CC2=C(CC(C)(C)C2)C=C1)O
Tpsa: 37.3
Logp: 2.5096
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₄O₂
Molecular Weight:
190.24
Synonyms:
1H-Indene-5-carboxylic acid, 2,3-dihydro-2,2-dimethyl-
SMILES:
O=C(C1=CC2=C(CC(C)(C)C2)C=C1)O
Tpsa:
37.3
Logp:
2.5096
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₅BrN₂O₂
Molecular Weight: 335.20
Synonyms: None
SMILES: O=C(C1=C(C2CC2)N(C3=CC=CC(Br)=C3)N=C1)OCC
Tpsa: 44.12
Logp: 3.6889
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₅BrN₂O₂
Molecular Weight:
335.20
Synonyms:
None
SMILES:
O=C(C1=C(C2CC2)N(C3=CC=CC(Br)=C3)N=C1)OCC
Tpsa:
44.12
Logp:
3.6889
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₈O₂
Molecular Weight: 218.29
Synonyms: 1H-Indene-4-carboxylic acid, 2,3-dihydro-2,2-dimethyl-, ethyl ester
SMILES: O=C(C1=CC=CC2=C1CC(C)(C)C2)OCC
Tpsa: 26.3
Logp: 2.9881
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₈O₂
Molecular Weight:
218.29
Synonyms:
1H-Indene-4-carboxylic acid, 2,3-dihydro-2,2-dimethyl-, ethyl ester
SMILES:
O=C(C1=CC=CC2=C1CC(C)(C)C2)OCC
Tpsa:
26.3
Logp:
2.9881
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2