1-Pentacontanol
Completing data — refresh the page later to see the latest
Basic information
- CAS
40710-43-8- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO- InChIKey
LDCJGXVGWOTHSW-UHFFFAOYSA-N- Molecular formula
- C50H102O
- Average molar mass
- 719.3 g/mol
- Monoisotopic mass
- 718.79306787
Names & identifiers
- Preferred name
- 1-Pentacontanol
- IUPAC
- pentacontan-1-ol
- English name
- Pentacontan-1-ol
- Molecular formula
- C50H102O
- Molecular weight
- 719.34
Names & synonyms
1-PentacontanolAcalypholN-Pentacontanol40710-43-8UNII-RJ0ZGV102NRJ0ZGV102NDTXSID90193697RefChem:76865DTXCID30116188LDCJGXVGWOTHSW-UHFFFAOYSA-Npentacontan-1-olHO(CH2)50H
Show more names
SCHEMBL3584896SCHEMBL5497044SCHEMBL26617297Q27288140
Database identifiers
- CAS
40710-43-8- PubChem CID
- 545594
- DTXSID
DTXSID90193697- UNII
- RJ0ZGV102N
- Nikkaji
- J119.358I
Properties
Computed structural propertiesFilling in
- XLogP
- 25.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 48
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 557
Physicochemical properties
- Boiling point
- 555 · 555.0±13.0 °C(Predicted)
- Density
- 0.844 · 0.844±0.06 g/cm3(Predicted)
- pka
- 15.2 · 15.20±0.10(Predicted)
- FDA UNII
- 0 ZGV102N · RJ0ZGV102N
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…