Acetic acid, 2-allyl-2-cyclohexyl-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride
Basic information
- CAS
66827-50-7- Standard SMILES
C=CCC(C(=O)OCC(C)(C)C[NH+](CC)CC)C1CCCCC1.[Cl-]- InChIKey
CLWDWMYAIBFDFV-UHFFFAOYSA-N- Molecular formula
- C20H38ClNO2
- Average molar mass
- 360 g/mol
- Monoisotopic mass
- 359.2591071
Names & identifiers
- Preferred name
- Acetic acid, 2-allyl-2-cyclohexyl-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride
- IUPAC
- [3-(2-cyclohexylpent-4-enoyloxy)-2,2-dimethylpropyl]-diethylazanium chloride
Names & synonyms
Acetic acid, 2-allyl-2-cyclohexyl-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride66827-50-7RefChem:10757452-Allyl-2-cyclohexylacetic acid 3-(diethylamino)-2,2-dimethylpropyl ester hydrochlorideCyclohexylallyl-essigsaeureester des 3-diaethylamino-2,2-dimethyl-1-propanol [German]Cyclohexylallyl-essigsaeureester des 3-diaethylamino-2,2-dimethyl-1-propanol
Database identifiers
- CAS
66827-50-7- PubChem CID
- 48090
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 355
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Compound notes
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