tributylphosphane

C12H27P — CID 13831

IUPACtributylphosphane
SMILESCCCCP(CCCC)CCCC
InChIInChI=1S/C12H27P/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3
InChIKeyTUQOTMZNTHZOKS-UHFFFAOYSA-N
MW202.32 g/mol
LogP4.87
Rot. Bonds9

About tributylphosphane

tributylphosphane (PubChem CID 13831) has the molecular formula C12H27P and a molecular weight of 202.32 g/mol. Its IUPAC name is tributylphosphane.

Molecular Properties

Compound Nametributylphosphane
PubChem CID13831
Molecular FormulaC12H27P
Molecular Weight202.32 g/mol
Exact Mass202.19
IUPAC Nametributylphosphane
SMILESCCCCP(CCCC)CCCC
InChIInChI=1S/C12H27P/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3
InChIKeyTUQOTMZNTHZOKS-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributylphosphane?
The IUPAC name of tributylphosphane (CID 13831) is tributylphosphane.
What is the SMILES notation for tributylphosphane?
The canonical SMILES for tributylphosphane is CCCCP(CCCC)CCCC.
What is the InChIKey of tributylphosphane?
The InChIKey is TUQOTMZNTHZOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3.
What are the key properties of tributylphosphane?
tributylphosphane has a molecular weight of 202.32 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributylphosphane is sourced from PubChem (CID 13831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).