dodecyl(octyl)phosphane

C20H43P — CID 87829037

IUPACdodecyl(octyl)phosphane
SMILESCCCCCCCCCCCCPCCCCCCCC
InChIInChI=1S/C20H43P/c1-3-5-7-9-11-12-13-14-16-18-20-21-19-17-15-10-8-6-4-2/h21H,3-20H2,1-2H3
InChIKeyHNBVOESQIXQBQC-UHFFFAOYSA-N
MW314.54 g/mol
LogP7.95
Rot. Bonds18

About dodecyl(octyl)phosphane

dodecyl(octyl)phosphane (PubChem CID 87829037) has the molecular formula C20H43P and a molecular weight of 314.54 g/mol. Its IUPAC name is dodecyl(octyl)phosphane.

Molecular Properties

Compound Namedodecyl(octyl)phosphane
PubChem CID87829037
Molecular FormulaC20H43P
Molecular Weight314.54 g/mol
Exact Mass314.31
IUPAC Namedodecyl(octyl)phosphane
SMILESCCCCCCCCCCCCPCCCCCCCC
InChIInChI=1S/C20H43P/c1-3-5-7-9-11-12-13-14-16-18-20-21-19-17-15-10-8-6-4-2/h21H,3-20H2,1-2H3
InChIKeyHNBVOESQIXQBQC-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

decyl(undecyl)phosphane
CID 87830755
di(nonadecyl)phosphane
CID 87828565
di(nonyl)phosphane;hydrochloride
CID 175813490
butyl(heptadecyl)phosphane
CID 146521828
dipentylphosphane
CID 11105867
hexadecyl(propyl)phosphane
CID 158670728
docosyl(docosylphosphanyl)phosphane
CID 21095052
octyl(pentylphosphanyl)phosphane
CID 21095189
sodium;butanedioic acid;dioctylphosphane;hydride
CID 175055356
methyl(tetradecyl)phosphane
CID 88708624
butyl(propyl)phosphane;methane
CID 158586194
decylphosphanylmethylboronic acid
CID 150889550

Frequently Asked Questions

What is the IUPAC name of dodecyl(octyl)phosphane?
The IUPAC name of dodecyl(octyl)phosphane (CID 87829037) is dodecyl(octyl)phosphane.
What is the SMILES notation for dodecyl(octyl)phosphane?
The canonical SMILES for dodecyl(octyl)phosphane is CCCCCCCCCCCCPCCCCCCCC.
What is the InChIKey of dodecyl(octyl)phosphane?
The InChIKey is HNBVOESQIXQBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43P/c1-3-5-7-9-11-12-13-14-16-18-20-21-19-17-15-10-8-6-4-2/h21H,3-20H2,1-2H3.
What are the key properties of dodecyl(octyl)phosphane?
dodecyl(octyl)phosphane has a molecular weight of 314.54 g/mol, XLogP of 7.95, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(octyl)phosphane is sourced from PubChem (CID 87829037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).