dodecyl(methyl)phosphane

C13H29P — CID 23418163

IUPACdodecyl(methyl)phosphane
SMILESCCCCCCCCCCCCPC
InChIInChI=1S/C13H29P/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h14H,3-13H2,1-2H3
InChIKeyNMEROOOLYMHBHI-UHFFFAOYSA-N
MW216.35 g/mol
LogP5.22
Rot. Bonds11

About dodecyl(methyl)phosphane

dodecyl(methyl)phosphane (PubChem CID 23418163) has the molecular formula C13H29P and a molecular weight of 216.35 g/mol. Its IUPAC name is dodecyl(methyl)phosphane.

Molecular Properties

Compound Namedodecyl(methyl)phosphane
PubChem CID23418163
Molecular FormulaC13H29P
Molecular Weight216.35 g/mol
Exact Mass216.20
IUPAC Namedodecyl(methyl)phosphane
SMILESCCCCCCCCCCCCPC
InChIInChI=1S/C13H29P/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h14H,3-13H2,1-2H3
InChIKeyNMEROOOLYMHBHI-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.35
LogP ≤ 55.22
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'}

Analyze dodecyl(methyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dodecyl(methyl)phosphane?
The IUPAC name of dodecyl(methyl)phosphane (CID 23418163) is dodecyl(methyl)phosphane.
What is the SMILES notation for dodecyl(methyl)phosphane?
The canonical SMILES for dodecyl(methyl)phosphane is CCCCCCCCCCCCPC.
What is the InChIKey of dodecyl(methyl)phosphane?
The InChIKey is NMEROOOLYMHBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29P/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h14H,3-13H2,1-2H3.
What are the key properties of dodecyl(methyl)phosphane?
dodecyl(methyl)phosphane has a molecular weight of 216.35 g/mol, XLogP of 5.22, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(methyl)phosphane is sourced from PubChem (CID 23418163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).