Basic information
- CAS
24828-61-3- Standard SMILES
COC(=O)CCCCCCCCCCCCC1CCCC1- InChIKey
PFZHJLRINUFWNV-UHFFFAOYSA-N- Molecular formula
- C19H36O2
- Average molar mass
- 296.5 g/mol
- Monoisotopic mass
- 296.27153039
Names & identifiers
- Preferred name
- Methyl 13-cyclopentyltridecanoate
- IUPAC
- methyl 13-cyclopentyltridecanoate
- English name
- Cyclopentanetridecanoic acid methyl ester
- Molecular formula
- C19H36O2
- Molecular weight
- 296.49
Names & synonyms
Methyl 13-cyclopentyltridecanoateMethyl dihydrochaulmoograteCyclopentanetridecanoic acid, methyl esterPFZHJLRINUFWNV-UHFFFAOYSA-NDTXSID301020846Methyl 13-cyclopentyltridecanoate #24828-61-3Cyclopentanetridecanoic acid methyl ester
Database identifiers
- CAS
24828-61-3- PubChem CID
- 554135
- DTXSID
DTXSID301020846- Nikkaji
- J110.865D
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 27 °C · 27 °C
- Boiling point
- 204 · 204-205 °C(Press: 10 Torr)
- Density
- 0.9018 g/cm3 · 0.9018 g/cm3(Temp: 30 °C)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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