1-phosphanyltridecan-1-ol

C13H29OP — CID 174895856

IUPAC1-phosphanyltridecan-1-ol
SMILESCCCCCCCCCCCCC(O)P
InChIInChI=1S/C13H29OP/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h13-14H,2-12,15H2,1H3
InChIKeyQJFFXGCGOKDLPK-UHFFFAOYSA-N
MW232.35 g/mol
LogP4.49
Rot. Bonds11

About 1-phosphanyltridecan-1-ol

1-phosphanyltridecan-1-ol (PubChem CID 174895856) has the molecular formula C13H29OP and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-phosphanyltridecan-1-ol.

Molecular Properties

Compound Name1-phosphanyltridecan-1-ol
PubChem CID174895856
Molecular FormulaC13H29OP
Molecular Weight232.35 g/mol
Exact Mass232.20
IUPAC Name1-phosphanyltridecan-1-ol
SMILESCCCCCCCCCCCCC(O)P
InChIInChI=1S/C13H29OP/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h13-14H,2-12,15H2,1H3
InChIKeyQJFFXGCGOKDLPK-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 54.49
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-phosphanylhexadecan-1-ol
CID 174908486
methanol;1-phosphanylpentan-1-ol
CID 89485720
(7R)-hexatriacontan-7-ol
CID 88529159
decane;dodecane-1,1-diol
CID 162011285
1-phosphanylundecylphosphane
CID 23414194
nonacosane-7,20-diol
CID 174949468
heptatriacontan-19-ylphosphane
CID 18405829
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
icosan-6-ol
CID 19931277

Frequently Asked Questions

What is the IUPAC name of 1-phosphanyltridecan-1-ol?
The IUPAC name of 1-phosphanyltridecan-1-ol (CID 174895856) is 1-phosphanyltridecan-1-ol.
What is the SMILES notation for 1-phosphanyltridecan-1-ol?
The canonical SMILES for 1-phosphanyltridecan-1-ol is CCCCCCCCCCCCC(O)P.
What is the InChIKey of 1-phosphanyltridecan-1-ol?
The InChIKey is QJFFXGCGOKDLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29OP/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h13-14H,2-12,15H2,1H3.
What are the key properties of 1-phosphanyltridecan-1-ol?
1-phosphanyltridecan-1-ol has a molecular weight of 232.35 g/mol, XLogP of 4.49, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphanyltridecan-1-ol is sourced from PubChem (CID 174895856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).