Basic information
- CAS
112-46-9- Standard SMILES
CC=CCCCCCCCCO- InChIKey
XWGRSDLPOHMWEO-UHFFFAOYSA-N- Molecular formula
- C11H22O
- Average molar mass
- 170.29 g/mol
- Monoisotopic mass
- 170.16706532
Names & identifiers
- Preferred name
- Undec-9-EN-1-OL
- IUPAC
- undec-9-en-1-ol
- English name
- undec-9-enol
- Molecular formula
- C11H22O
- Molecular weight
- 170.29
Names & synonyms
UNDEC-9-EN-1-OLSCHEMBL1602829SCHEMBL7873482SCHEMBL9508605DTXSID80870465NS00041677undec-9-enol9-Undecen-1-olEinecs 203-974-7
Database identifiers
- CAS
112-46-9- PubChem CID
- 101583
- DTXSID
DTXSID80870465
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 97.2
Physicochemical properties
- Melting point
- 6.15 °C · 6.15°C (estimate)
- Boiling point
- 264.96 °C · 264.96°C (estimate)
- Density
- 0.8629 · 0.8629 (estimate)
- refractive index
- 1.4497 · 1.4497 (estimate)
- pka
- 15.196 · 15.196±0.10(predicted)
- LogP
- 4.076 · 4.076 (est)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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