Basic information
- CAS
65860-54-0- Standard SMILES
C=C(C/C=C(\C)C(=O)O)C(C)C- InChIKey
HZNKOKJSWBRPRJ-RMKNXTFCSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Overview
2,6-dimethyl-5-methylenehept-2-enoic acid is an alpha,beta-monocarboxylic acid consisting of 2-heptenoic acid having methyl substituents at the 2- and 6-positions as well as a methylene group at position 5. It is functionally related to a 2-heptenoic acid.
Names & identifiers
- Preferred name
- trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid
- IUPAC
- (E)-2,6-dimethyl-5-methylidenehept-2-enoic acid
Names & synonyms
trans-2-Methyl-5-isopropylhexa-2,5-dienoic acidDTXSID90415205RefChem:190602DTXCID4036605665860-54-0(E)-2,6-dimethyl-5-methylidenehept-2-enoic acidtrans-2,6-dimethyl-5-methylenehept-2-enoic acid2,6-dimethyl-5-methylenehept-2-enoic acid(2E)-2,6-dimethyl-5-methylenehept-2-enoic acid(2E)-2,6-dimethyl-5-methylidenehept-2-enoic acidSCHEMBL1009567CHEBI:27050
Show more names
CHEBI:36153Q27109932Q27116719
Database identifiers
- CAS
65860-54-0、65860-56-2- PubChem CID
- 5281995
- DTXSID
DTXSID90415205- ChEBI
CHEBI:36153- Nikkaji
- J2.002.542E
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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