diethyl(octan-4-yl)phosphane

C12H27P — CID 150705111

IUPACdiethyl(octan-4-yl)phosphane
SMILESCCCCC(CCC)P(CC)CC
InChIInChI=1S/C12H27P/c1-5-9-11-12(10-6-2)13(7-3)8-4/h12H,5-11H2,1-4H3
InChIKeyJMRSFWDSIWZDAU-UHFFFAOYSA-N
MW202.32 g/mol
LogP4.87
Rot. Bonds8

About diethyl(octan-4-yl)phosphane

diethyl(octan-4-yl)phosphane (PubChem CID 150705111) has the molecular formula C12H27P and a molecular weight of 202.32 g/mol. Its IUPAC name is diethyl(octan-4-yl)phosphane.

Molecular Properties

Compound Namediethyl(octan-4-yl)phosphane
PubChem CID150705111
Molecular FormulaC12H27P
Molecular Weight202.32 g/mol
Exact Mass202.19
IUPAC Namediethyl(octan-4-yl)phosphane
SMILESCCCCC(CCC)P(CC)CC
InChIInChI=1S/C12H27P/c1-5-9-11-12(10-6-2)13(7-3)8-4/h12H,5-11H2,1-4H3
InChIKeyJMRSFWDSIWZDAU-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
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'}

Analyze diethyl(octan-4-yl)phosphane with MolForge

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

Launch Full Analysis

Related Compounds

methyl-di(octan-4-yl)phosphane
CID 22497740
ethyl-di(octan-4-yl)phosphane
CID 22497528
dihexyl(nonan-4-yl)phosphane
CID 172773657
dodecan-5-yl(dioctyl)phosphane
CID 172795592
dioctyl(tetracosan-8-yl)phosphane
CID 159416945
methyl-(2-methylbutan-2-yl)-octan-4-ylphosphane
CID 123427716
dibutyl(hexan-3-yl)phosphane;hydrobromide
CID 172717533
tetrabutylphosphanium;tin(4+)
CID 160650774
(1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane;1-diethylphosphanylhexan-2-yl(diethyl)phosphane;gold
CID 173386241
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708

Frequently Asked Questions

What is the IUPAC name of diethyl(octan-4-yl)phosphane?
The IUPAC name of diethyl(octan-4-yl)phosphane (CID 150705111) is diethyl(octan-4-yl)phosphane.
What is the SMILES notation for diethyl(octan-4-yl)phosphane?
The canonical SMILES for diethyl(octan-4-yl)phosphane is CCCCC(CCC)P(CC)CC.
What is the InChIKey of diethyl(octan-4-yl)phosphane?
The InChIKey is JMRSFWDSIWZDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P/c1-5-9-11-12(10-6-2)13(7-3)8-4/h12H,5-11H2,1-4H3.
What are the key properties of diethyl(octan-4-yl)phosphane?
diethyl(octan-4-yl)phosphane has a molecular weight of 202.32 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(octan-4-yl)phosphane is sourced from PubChem (CID 150705111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).