Formic acid, oct-2-yl ester
Basic information
- CAS
5451-60-5- Standard SMILES
CCCCCCC(C)OC=O- InChIKey
CQRBMEAOKCDBEA-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- Formic acid, oct-2-yl ester
- IUPAC
- octan-2-yl formate
Names & synonyms
5451-60-5Formic acid, oct-2-yl esterNSC218382-Octanol, formateMethansaure-sek.-octylesterSCHEMBL93128SCHEMBL93129SCHEMBL8378779CQRBMEAOKCDBEA-UHFFFAOYSA-NDTXSID201377115NSC-21838
Database identifiers
- CAS
5451-60-5- PubChem CID
- 228730
- DTXSID
DTXSID201377115- Nikkaji
- J1.098.947G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 91.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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