Basic information
- CAS
5454-26-2- Standard SMILES
CCCCCCC(=O)OC1CCCCC1- InChIKey
WRFAGNPJDOSOAP-UHFFFAOYSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763
Names & identifiers
- Preferred name
- Cyclohexyl heptanoate
- IUPAC
- cyclohexyl heptanoate
- English name
- NSC23055
- Molecular formula
- C13H24O2
- Molecular weight
- 212.32846
Names & synonyms
cyclohexyl heptanoate5454-26-2NSC23055SCHEMBL196056heptanoic acid cyclohexyl esterSCHEMBL7694024SCHEMBL8895529DTXSID80969767WRFAGNPJDOSOAP-UHFFFAOYSA-NNSC-23055
Database identifiers
- CAS
5454-26-2- PubChem CID
- 229384
- DTXSID
DTXSID80969767
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Physicochemical properties
- Odor
- 100 % · at 100.00%. fruity
- LogP
- 4.795 · 4.795 (est)
Chemistry & industry
Suppliers1 total
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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