(1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate
Basic information
- CAS
20777-43-9- Standard SMILES
CC(=O)OC1CC(C(C)C)CCC1C- InChIKey
JAKFDYGDDRCJLY-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- (1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate
- IUPAC
- (2-methyl-5-propan-2-ylcyclohexyl) acetate
Names & synonyms
Neocarvomenthyl acetateNeoisocarvomenthyl acetate7460-78-85-Isopropyl-2-methylcyclohexyl acetate #EINECS 244-027-8EINECS 257-265-2EINECS 257-268-9SCHEMBL651247SCHEMBL6716947(1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate(1)-(1alpha,2beta,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate(1S-(1alpha,2alpha,5alpha))-5-(Isopropyl)-2-methylcyclohexyl acetate
Show more names
NSC404222NSC-40422251547-99-0NS00088164
Database identifiers
- CAS
20777-43-9、51546-61-3、51547-99-0、7460-78-8- PubChem CID
- 89383
- EC Number
- 257-268-9
- Nikkaji
- J841.522F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
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Compound notes
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