Basic information
- CAS
20144-45-0- Standard SMILES
CC(=O)OC1=C(C(C)C)CCC(C)C1- InChIKey
ACRDFOPYQAGNPS-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
- 2-(Isopropyl)-5-methylcyclohexen-1-yl acetate
- IUPAC
- (5-methyl-2-propan-2-ylcyclohexen-1-yl) acetate
- English name
- 2-(isopropyl)-5-methylcyclohexen-1-yl acetate
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
20144-45-02-(Isopropyl)-5-methylcyclohexen-1-yl acetateEINECS 243-545-15-Methyl-2-(propan-2-yl)cyclohex-1-en-1-yl acetateELK8577C7TDTXSID90942187ACRDFOPYQAGNPS-UHFFFAOYSA-NEINECS 258-755-9NS00050612(5-methyl-2-propan-2-yl-1-cyclohexenyl)acetate1-Cyclohexen-1-ol, 5-methyl-2-(1-methylethyl)-,1-acetate1-Isopropyl-4-methylcyclohexene-2-ol acetate
Show more names
5-Methyl-2-(1-methylethyl)-1-cyclohexen-1-ol acetate1-Cyclohexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate
Database identifiers
- CAS
20144-45-0、53771-94-1- PubChem CID
- 89280
- DTXSID
DTXSID90942187- UNII
- ELK8577C7T
- EC Number
- 243-545-1
- Nikkaji
- J280.459J
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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