Cyclopentaneundecanoic acid, methyl ester
Basic information
- CAS
25779-85-5- Standard SMILES
COC(=O)CCCCCCCCCCC1CCCC1- InChIKey
JZTLFYKYBAAFSQ-UHFFFAOYSA-N- Molecular formula
- C17H32O2
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.24023026
Names & identifiers
- Preferred name
- Cyclopentaneundecanoic acid, methyl ester
- IUPAC
- methyl 11-cyclopentylundecanoate
- English name
- 11-(Cyclopentan-1-yl)undecanoic acid methyl ester
- Molecular formula
- C17H32O2
- Molecular weight
- 268.43
Names & synonyms
Cyclopentaneundecanoic acid, methyl ester25779-85-5DTXSID30336627RefChem:1082708DTXCID20287715Methyl 11-cyclopentylundecanoateMethyl dihydrohydnocarpate11-(Cyclopentan-1-yl)undecanoic acid methyl esterJZTLFYKYBAAFSQ-UHFFFAOYSA-NMethyl 11-cyclopentylundecanoate #cyclopentaneundecanoic acid methyl esterDB-226134
Show more names
NS00096180
Database identifiers
- CAS
25779-85-5- PubChem CID
- 535041
- DTXSID
DTXSID30336627- Nikkaji
- J112.408K
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 187 · 187-188 °C(Press: 10 Torr)
- Density
- 0.9057 g/cm3 · 0.9057 g/cm3(Temp: 25 °C)
- Comptox DTXSID
- 30336627 · DTXSID30336627
- HS Code
- 2916209090 · 2916209090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2916209090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…