Basic information
- CAS
69830-91-7- Standard SMILES
CCCCCCCC[C@@H]1CCOC1=O- InChIKey
AEADGZSTCJUXRK-LLVKDONJSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- (3R)-3-octyloxolan-2-one
- IUPAC
- (3R)-3-octyloxolan-2-one
- English name
- 2(3H)-Furanone, dihydro-5-octyl-, (5R)-
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
(3R)-3-octyloxolan-2-one2(3H)-Furanone, dihydro-5-octyl-, (5R)-
Database identifiers
- CAS
69830-91-7- PubChem CID
- 155338
- DTXSID
DTXSID30220118- Nikkaji
- J258.648G
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
- 14
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 130 °C · 130 °C(Press: 0.1 Torr)
- Density
- 0.931 · 0.931±0.06 g/cm3(Predicted)
- Odor
- 100 % · at 100.00 %. fruity sweet bloomy aldehydic woody
- Odor Type
- fruity
- LogP
- 3.47 · 3.470 (est)
- FDA UNII
- 44 DKB0M2KO · 44DKB0M2KO
Chemistry & industry
Suppliers1 total
苏州卓欣雅科技有限公司18506228039 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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