Basic information
- CAS
4541-13-3- Standard SMILES
CCCCCCOCCCCO- InChIKey
NTRCGACLCLJKBB-UHFFFAOYSA-N- Molecular formula
- C10H22O2
- Average molar mass
- 174.28 g/mol
- Monoisotopic mass
- 174.16197994
Names & identifiers
- Preferred name
- 4-(Hexyloxy)-1-butanol
- IUPAC
- 4-hexoxybutan-1-ol
- English name
- 4-(Hexyloxy)-1-butanol
- Molecular formula
- C10H22O2
- Molecular weight
- 174.28
Names & synonyms
4-(HEXYLOXY)-1-BUTANOL4541-13-31-Butanol, 4-(hexyloxy)-4-(HEXYLOXY)BUTAN-1-OL4-(Hexyloxy)-1-butanol #SCHEMBL2532266SCHEMBL2532269DTXSID10196504NTRCGACLCLJKBB-UHFFFAOYSA-N5-Oxaundecan-1-ol4-hexoxybutan-1-ol4-Hexyloxy-1-butanol
Database identifiers
- CAS
4541-13-3- PubChem CID
- 20665
- DTXSID
DTXSID10196504- Nikkaji
- J121.742I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 74.2
Physicochemical properties
- Boiling point
- 253.4 · 253.4±8.0 °C(Predicted)
- Density
- 0.882 · 0.882±0.06 g/cm3(Predicted)
- pka
- 15.08 · 15.08±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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