Basic information
- CAS
17844-07-4- Standard SMILES
CC(C)CC(=O)CC(C)C1CC=C(C(=O)O)CC1- InChIKey
XPXCWUPURKUWHC-UHFFFAOYSA-N- Molecular formula
- C15H24O3
- Average molar mass
- 252.35 g/mol
- Monoisotopic mass
- 252.17254462
Overview
1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)- has been reported in Abies sachalinensis and Abies pinsapo with data available.
Names & identifiers
- Preferred name
- 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-
- IUPAC
- 4-(6-methyl-4-oxoheptan-2-yl)cyclohexene-1-carboxylic acid
Names & synonyms
Todomatuic acid17844-07-41-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-orb3178130DTXSID00939083XPXCWUPURKUWHC-UHFFFAOYSA-N4-(6-methyl-4-oxoheptan-2-yl)cyclohex-1-ene-1-carboxylic acidTN117344-(1,5-Dimethyl-3-oxohexyl)-1-cyclohexene-1-carboxylic acid #6753-22-6
Database identifiers
- CAS
17844-07-4- PubChem CID
- 28809
- DTXSID
DTXSID00939083- Nikkaji
- J1.565.137G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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