(2,3-diethylcyclopenta-1,4-dien-1-yl)-diphenylphosphane

C21H23P — CID 176543856

IUPAC(2,3-diethylcyclopenta-1,4-dien-1-yl)-diphenylphosphane
SMILESCCC1=C(P(c2ccccc2)c2ccccc2)C=CC1CC
InChIInChI=1S/C21H23P/c1-3-17-15-16-21(20(17)4-2)22(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-17H,3-4H2,1-2H3
InChIKeyUFDCEBPWIIAJCS-UHFFFAOYSA-N
MW306.39 g/mol
LogP5.38
Rot. Bonds5

About (2,3-diethylcyclopenta-1,4-dien-1-yl)-diphenylphosphane

(2,3-diethylcyclopenta-1,4-dien-1-yl)-diphenylphosphane (PubChem CID 176543856) has the molecular formula C21H23P and a molecular weight of 306.39 g/mol. Its IUPAC name is (2,3-diethylcyclopenta-1,4-dien-1-yl)-diphenylphosphane.

Molecular Properties

Compound Name(2,3-diethylcyclopenta-1,4-dien-1-yl)-diphenylphosphane
PubChem CID176543856
Molecular FormulaC21H23P
Molecular Weight306.39 g/mol
Exact Mass306.15
IUPAC Name(2,3-diethylcyclopenta-1,4-dien-1-yl)-diphenylphosphane
SMILESCCC1=C(P(c2ccccc2)c2ccccc2)C=CC1CC
InChIInChI=1S/C21H23P/c1-3-17-15-16-21(20(17)4-2)22(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-17H,3-4H2,1-2H3
InChIKeyUFDCEBPWIIAJCS-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.39
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2,3-diethylcyclopenta-1,4-dien-1-yl)-diphenylphosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,3-diethylcyclopenta-1,4-dien-1-yl)-diphenylphosphane?
The IUPAC name of (2,3-diethylcyclopenta-1,4-dien-1-yl)-diphenylphosphane (CID 176543856) is (2,3-diethylcyclopenta-1,4-dien-1-yl)-diphenylphosphane.
What is the SMILES notation for (2,3-diethylcyclopenta-1,4-dien-1-yl)-diphenylphosphane?
The canonical SMILES for (2,3-diethylcyclopenta-1,4-dien-1-yl)-diphenylphosphane is CCC1=C(P(c2ccccc2)c2ccccc2)C=CC1CC.
What is the InChIKey of (2,3-diethylcyclopenta-1,4-dien-1-yl)-diphenylphosphane?
The InChIKey is UFDCEBPWIIAJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23P/c1-3-17-15-16-21(20(17)4-2)22(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-17H,3-4H2,1-2H3.
What are the key properties of (2,3-diethylcyclopenta-1,4-dien-1-yl)-diphenylphosphane?
(2,3-diethylcyclopenta-1,4-dien-1-yl)-diphenylphosphane has a molecular weight of 306.39 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethylcyclopenta-1,4-dien-1-yl)-diphenylphosphane is sourced from PubChem (CID 176543856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).