AB25846
24730-88-9 | Ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB25846
ChemicalName
Ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CasNumber
24730-88-9
MolecularFormula
C12H20O4
MolecularWeight
228.2848
MdlNumber
MFCD16036567
Smiles
CCOC(=O)C1(C)CCC2(CC1)OCCO2
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AB25846
ChemicalName: Ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CasNumber: 24730-88-9
MolecularFormula: C12H20O4
MolecularWeight: 228.2848
MdlNumber: MFCD16036567
Smiles: CCOC(=O)C1(C)CCC2(CC1)OCCO2
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AB25846
ChemicalName:
Ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CasNumber:
24730-88-9
MolecularFormula:
C12H20O4
MolecularWeight:
228.2848
MdlNumber:
MFCD16036567
Smiles:
CCOC(=O)C1(C)CCC2(CC1)OCCO2
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: __
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MolecularFormula: __
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Smiles: CC(CCCCCCCCCCCC(=O)N1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1C(CC(=O)O)O)CC(C)C)CC(C)C)C(C)C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
CC(CCCCCCCCCCCC(=O)N1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1C(CC(=O)O)O)CC(C)C)CC(C)C)C(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: OS(=O)(=O)O.CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@@]1(O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O)C(C)C
Complexity: __
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HeavyAtomCount: __
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__
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Smiles:
OS(=O)(=O)O.CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@@]1(O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(COc1c(Cl)cc(cc1Cl)Cl)NCc1ccc(cc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=C(COc1c(Cl)cc(cc1Cl)Cl)NCc1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__