Basic information
- Standard SMILES
CC1=C(C=CC(=O)Cl)C(C)(C)CCC1- InChIKey
ZCOIBEXXKABMOU-UHFFFAOYSA-N- Molecular formula
- C12H17ClO
- Average molar mass
- 212.71 g/mol
- Monoisotopic mass
- 212.0967929
Names & identifiers
- Preferred name
- 3-(2,6,6-Trimethyl-cyclohex-1-enyl)acryloyl chloride
- IUPAC
- 3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl chloride
Names & synonyms
SCHEMBL956238ZCOIBEXXKABMOU-UHFFFAOYSA-N3-(2,6,6-trimethyl-cyclohex-1-enyl)acryloyl chloride3-(2,6,6-trimethyl-cyclohex-1-enyl)-acryloyl chloride
Database identifiers
- PubChem CID
- 54540111
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 297
Related reactions
5 records
Compound notes
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