cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid
Basic information
- CAS
65860-54-0- Standard SMILES
C=C(C/C=C(/C)C(=O)O)C(C)C- InChIKey
HZNKOKJSWBRPRJ-TWGQIWQCSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Overview
Cis-2,6-dimethyl-5-methylenehept-2-enoic acid is a 2,6-dimethyl-5-methylenehept-2-enoic acid having Z-configuration.
Names & identifiers
- Preferred name
- cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid
- IUPAC
- (Z)-2,6-dimethyl-5-methylidenehept-2-enoic acid
Names & synonyms
cis-2-Methyl-5-isopropylhexa-2,5-dienoic acidcis-2,6-dimethyl-5-methylenehept-2-enoic acidCHEBI:23285DTXSID50415206(2Z)-2,6-dimethyl-5-methylenehept-2-enoic acidRefChem:126398DTXCID0036605765860-56-2(Z)-2,6-dimethyl-5-methylidenehept-2-enoic acidSCHEMBL2929725(2Z)-2,6-DIMETHYL-5-METHYLIDENEHEPT-2-ENOIC ACIDQ27109764
Database identifiers
- CAS
65860-54-0、65860-56-2- PubChem CID
- 5281996
- DTXSID
DTXSID50415206- ChEBI
CHEBI:23285- Nikkaji
- J2.725.401B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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