tridecylphosphane

C13H29P — CID 18405840

IUPACtridecylphosphane
SMILESCCCCCCCCCCCCCP
InChIInChI=1S/C13H29P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-14H2,1H3
InChIKeyMOSFSEPBWRXKJZ-UHFFFAOYSA-N
MW216.35 g/mol
LogP5.17
Rot. Bonds11

About tridecylphosphane

tridecylphosphane (PubChem CID 18405840) has the molecular formula C13H29P and a molecular weight of 216.35 g/mol. Its IUPAC name is tridecylphosphane.

Molecular Properties

Compound Nametridecylphosphane
PubChem CID18405840
Molecular FormulaC13H29P
Molecular Weight216.35 g/mol
Exact Mass216.20
IUPAC Nametridecylphosphane
SMILESCCCCCCCCCCCCCP
InChIInChI=1S/C13H29P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-14H2,1H3
InChIKeyMOSFSEPBWRXKJZ-UHFFFAOYSA-N
XLogP5.17
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 ≤ 55.17
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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Frequently Asked Questions

What is the IUPAC name of tridecylphosphane?
The IUPAC name of tridecylphosphane (CID 18405840) is tridecylphosphane.
What is the SMILES notation for tridecylphosphane?
The canonical SMILES for tridecylphosphane is CCCCCCCCCCCCCP.
What is the InChIKey of tridecylphosphane?
The InChIKey is MOSFSEPBWRXKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-14H2,1H3.
What are the key properties of tridecylphosphane?
tridecylphosphane has a molecular weight of 216.35 g/mol, XLogP of 5.17, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tridecylphosphane is sourced from PubChem (CID 18405840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).