Basic information
- CAS
6632-94-6- Standard SMILES
CCCCC(O)(CCC)CCC- InChIKey
XTUNJXWJLHBETK-UHFFFAOYSA-N- Molecular formula
- C11H24O
- Average molar mass
- 172.31 g/mol
- Monoisotopic mass
- 172.18271539
Names & identifiers
- Preferred name
- 4-Propyloctan-4-ol
- IUPAC
- 4-propyloctan-4-ol
- English name
- 4-propyloctan-4-ol
- Molecular formula
- C11H24O
- Molecular weight
- 172.31
Names & synonyms
6632-94-64-propyloctan-4-ol4-Propyl-4-octanolNSC43856SCHEMBL2349314SCHEMBL2349317SCHEMBL3166757SCHEMBL28201294DTXSID30286118XTUNJXWJLHBETK-UHFFFAOYSA-NNSC-438564-Octanol, 4-propyl-
Database identifiers
- CAS
6632-94-6- PubChem CID
- 239076
- DTXSID
DTXSID30286118- Nikkaji
- J3.475.952I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 93.2
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 101.4 · 101.4-102.4 °C(Press: 15 Torr)
- Density
- 0.8351 g/cm3 · 0.8351 g/cm3
- pka
- 15.38 · 15.38±0.29(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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