1,4-Cyclohexanediol bis-ethylhexanoate
Basic information
- CAS
53148-31-5- Standard SMILES
CCCCC(CC)C(=O)OC1CCC(OC(=O)C(CC)CCCC)CC1- InChIKey
KNPIEXMCCLCXEQ-UHFFFAOYSA-N- Molecular formula
- C22H40O4
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.29265975
Names & identifiers
- Preferred name
- 1,4-Cyclohexanediol bis-ethylhexanoate
- IUPAC
- [4-(2-ethylhexanoyloxy)cyclohexyl] 2-ethylhexanoate
Names & synonyms
1,4-Cyclohexanediol bis-ethylhexanoateUNII-B8N9FDD3REB8N9FDD3REHexanoic acid, 2-ethyl-, 1,4-cyclohexylene esterHexanoic acid, 2-ethyl-, 1,4-cyclohexanediyl ester1,4-Cyclohexanediol bis-ethylhexanoate [INCI]53148-31-5RefChem:196821SCHEMBL8411555KNPIEXMCCLCXEQ-UHFFFAOYSA-NQ27274509
Database identifiers
- CAS
53148-31-5- PubChem CID
- 19972291
- UNII
- B8N9FDD3RE
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 361
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…