Undecyl formate
Basic information
- CAS
5454-24-0- Standard SMILES
CCCCCCCCCCCOC=O- InChIKey
OASFNORBKVGDRW-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Names & identifiers
- Preferred name
- Undecyl formate
- IUPAC
- undecyl formate
Names & synonyms
undecyl formate5454-24-01-Undecanol, formate1-undecyl formateNSC23053formic acid undecyl esterFormic acid, undecyl esterSCHEMBL157306SCHEMBL157307SCHEMBL2281598SCHEMBL7558315DTXSID30281789
Show more names
OASFNORBKVGDRW-UHFFFAOYSA-NMFCD35160991NSC-23053G71202
Database identifiers
- CAS
5454-24-0- PubChem CID
- 229382
- DTXSID
DTXSID30281789
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 113
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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