diethyl(octyl)phosphane

C12H27P — CID 18955175

IUPACdiethyl(octyl)phosphane
SMILESCCCCCCCCP(CC)CC
InChIInChI=1S/C12H27P/c1-4-7-8-9-10-11-12-13(5-2)6-3/h4-12H2,1-3H3
InChIKeyZBGVFVIFMRFLSQ-UHFFFAOYSA-N
MW202.32 g/mol
LogP4.87
Rot. Bonds9

About diethyl(octyl)phosphane

diethyl(octyl)phosphane (PubChem CID 18955175) has the molecular formula C12H27P and a molecular weight of 202.32 g/mol. Its IUPAC name is diethyl(octyl)phosphane.

Molecular Properties

Compound Namediethyl(octyl)phosphane
PubChem CID18955175
Molecular FormulaC12H27P
Molecular Weight202.32 g/mol
Exact Mass202.19
IUPAC Namediethyl(octyl)phosphane
SMILESCCCCCCCCP(CC)CC
InChIInChI=1S/C12H27P/c1-4-7-8-9-10-11-12-13(5-2)6-3/h4-12H2,1-3H3
InChIKeyZBGVFVIFMRFLSQ-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': '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 diethyl(octyl)phosphane?
The IUPAC name of diethyl(octyl)phosphane (CID 18955175) is diethyl(octyl)phosphane.
What is the SMILES notation for diethyl(octyl)phosphane?
The canonical SMILES for diethyl(octyl)phosphane is CCCCCCCCP(CC)CC.
What is the InChIKey of diethyl(octyl)phosphane?
The InChIKey is ZBGVFVIFMRFLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P/c1-4-7-8-9-10-11-12-13(5-2)6-3/h4-12H2,1-3H3.
What are the key properties of diethyl(octyl)phosphane?
diethyl(octyl)phosphane 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 diethyl(octyl)phosphane is sourced from PubChem (CID 18955175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).