1-phosphanylhexadecan-1-ol

C16H35OP — CID 174908486

IUPAC1-phosphanylhexadecan-1-ol
SMILESCCCCCCCCCCCCCCCC(O)P
InChIInChI=1S/C16H35OP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h16-17H,2-15,18H2,1H3
InChIKeyZGNMMLCWPJTYRC-UHFFFAOYSA-N
MW274.43 g/mol
LogP5.66
Rot. Bonds14

About 1-phosphanylhexadecan-1-ol

1-phosphanylhexadecan-1-ol (PubChem CID 174908486) has the molecular formula C16H35OP and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-phosphanylhexadecan-1-ol.

Molecular Properties

Compound Name1-phosphanylhexadecan-1-ol
PubChem CID174908486
Molecular FormulaC16H35OP
Molecular Weight274.43 g/mol
Exact Mass274.24
IUPAC Name1-phosphanylhexadecan-1-ol
SMILESCCCCCCCCCCCCCCCC(O)P
InChIInChI=1S/C16H35OP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h16-17H,2-15,18H2,1H3
InChIKeyZGNMMLCWPJTYRC-UHFFFAOYSA-N
XLogP5.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.43
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-phosphanyltridecan-1-ol
CID 174895856
methanol;1-phosphanylpentan-1-ol
CID 89485720
nonacosane-7,20-diol
CID 174949468
heptatriacontan-19-ylphosphane
CID 18405829
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
decane;dodecane-1,1-diol
CID 162011285
1-phosphanylundecylphosphane
CID 23414194
nonacosane-14,15-diol
CID 91509633
dodecan-6-ylphosphane
CID 88935198

Frequently Asked Questions

What is the IUPAC name of 1-phosphanylhexadecan-1-ol?
The IUPAC name of 1-phosphanylhexadecan-1-ol (CID 174908486) is 1-phosphanylhexadecan-1-ol.
What is the SMILES notation for 1-phosphanylhexadecan-1-ol?
The canonical SMILES for 1-phosphanylhexadecan-1-ol is CCCCCCCCCCCCCCCC(O)P.
What is the InChIKey of 1-phosphanylhexadecan-1-ol?
The InChIKey is ZGNMMLCWPJTYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35OP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h16-17H,2-15,18H2,1H3.
What are the key properties of 1-phosphanylhexadecan-1-ol?
1-phosphanylhexadecan-1-ol has a molecular weight of 274.43 g/mol, XLogP of 5.66, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphanylhexadecan-1-ol is sourced from PubChem (CID 174908486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).