diethyl(octadec-9-enyl)phosphane

C22H45P — CID 123997045

IUPACdiethyl(octadec-9-enyl)phosphane
SMILESCCCCCCCCC=CCCCCCCCCP(CC)CC
InChIInChI=1S/C22H45P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(5-2)6-3/h13-14H,4-12,15-22H2,1-3H3
InChIKeySRBMBCKNMBHYOV-UHFFFAOYSA-N
MW340.58 g/mol
LogP8.55
Rot. Bonds18

About diethyl(octadec-9-enyl)phosphane

diethyl(octadec-9-enyl)phosphane (PubChem CID 123997045) has the molecular formula C22H45P and a molecular weight of 340.58 g/mol. Its IUPAC name is diethyl(octadec-9-enyl)phosphane.

Molecular Properties

Compound Namediethyl(octadec-9-enyl)phosphane
PubChem CID123997045
Molecular FormulaC22H45P
Molecular Weight340.58 g/mol
Exact Mass340.33
IUPAC Namediethyl(octadec-9-enyl)phosphane
SMILESCCCCCCCCC=CCCCCCCCCP(CC)CC
InChIInChI=1S/C22H45P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(5-2)6-3/h13-14H,4-12,15-22H2,1-3H3
InChIKeySRBMBCKNMBHYOV-UHFFFAOYSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze diethyl(octadec-9-enyl)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

ethyl-di(tetradecyl)phosphane
CID 89485353
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of diethyl(octadec-9-enyl)phosphane?
The IUPAC name of diethyl(octadec-9-enyl)phosphane (CID 123997045) is diethyl(octadec-9-enyl)phosphane.
What is the SMILES notation for diethyl(octadec-9-enyl)phosphane?
The canonical SMILES for diethyl(octadec-9-enyl)phosphane is CCCCCCCCC=CCCCCCCCCP(CC)CC.
What is the InChIKey of diethyl(octadec-9-enyl)phosphane?
The InChIKey is SRBMBCKNMBHYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(5-2)6-3/h13-14H,4-12,15-22H2,1-3H3.
What are the key properties of diethyl(octadec-9-enyl)phosphane?
diethyl(octadec-9-enyl)phosphane has a molecular weight of 340.58 g/mol, XLogP of 8.55, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(octadec-9-enyl)phosphane is sourced from PubChem (CID 123997045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).