2-Methyl-3-[4-(propan-2-yl)cyclohex-1-en-1-yl]propan-1-ol

HCID 85666

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Basic information

CAS: 13977-20-3
Standard SMILES: CC(CO)CC1=CCC(C(C)C)CC1
InChIKey: BZGZKGXPTJAOCN-UHFFFAOYSA-N
Molecular formula: C13H24O
Average molar mass: 196.33 g/mol
Monoisotopic mass: 196.18271539

Names & identifiers

Preferred name: 2-Methyl-3-[4-(propan-2-yl)cyclohex-1-en-1-yl]propan-1-ol
IUPAC: 2-methyl-3-(4-propan-2-ylcyclohexen-1-yl)propan-1-ol

Names & synonyms

2-methyl-3-[4-(propan-2-yl)cyclohex-1-en-1-yl]propan-1-ol13977-20-34-Isopropyl-beta-methylcyclohexene-1-propan-1-olEINECS 237-756-8SCHEMBL21175598DTXSID80930593AKOS030254743NS00052479

Database identifiers

CAS: 13977-20-3
PubChem CID: 85666
DTXSID: DTXSID80930593
EC Number: 237-756-8
Nikkaji: J216.798K

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 193

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