Basic information
- CAS
87128-93-6- Standard SMILES
CC1=CCC(O)(C(C)(C)Cl)CC1- InChIKey
VGSSKNUDSMPAFJ-UHFFFAOYSA-N- Molecular formula
- C10H17ClO
- Average molar mass
- 188.69 g/mol
- Monoisotopic mass
- 188.0967929
Names & identifiers
- Preferred name
- 3-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl-
- IUPAC
- 1-(2-chloropropan-2-yl)-4-methylcyclohex-3-en-1-ol
Names & synonyms
87128-93-63-Cyclohexen-1-ol, 1-(1-chloro-1-methylethyl)-4-methyl-1-(2-chloropropan-2-yl)-4-methylcyclohex-3-en-1-olSCHEMBL10800083VGSSKNUDSMPAFJ-UHFFFAOYSA-NDTXSID701007361(+/-)-4-Methyl-(1-(1-chloro-1-methylethyl))-3-cyclohexen-1-ol(+/-)-4-Methyl-1-(1-chloro-1-methylethyl)-3-cyclohexen-1-ol
Database identifiers
- CAS
87128-93-6- PubChem CID
- 159043
- DTXSID
DTXSID701007361
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
Related reactions
5 records
Compound notes
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