(Z)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate

HCID 113458

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Basic information

CAS: 97890-04-5
Standard SMILES: CC(=O)OCC=C1CCCC(C)(C)C1
InChIKey: VETKXRAMNAWPAN-UHFFFAOYSA-N
Molecular formula: C12H20O2
Average molar mass: 196.29 g/mol
Monoisotopic mass: 196.14632988

Overview

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Names & identifiers

Preferred name: (Z)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate
IUPAC: 2-(3,3-dimethylcyclohexylidene)ethyl acetate

Names & synonyms

(E)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate(Z)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate(E)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate, (Z)-2-(3,3-Dimethylcyclohexylidene)ethyl acetate, 97890-04-5, CTK5H9571, CTK5H9572, 97890-05-6, AG-H-98325, AG-H-98326(E)-3,3-dimethylcyclohexane-.DELTA.1,.beta.-ethyl acetate, AC1O56OT, 97890-05-6, EINECS 308-183-1, EINECS 308-184-7, [(2E)-2-(3,3-dimethylcyclohexylidene)ethyl] acetate

Database identifiers

CAS: 97890-04-5
PubChem CID: 113458
EC Number: 308-183-1

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 239

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