cyclopenta-2,4-dien-1-yl(diethoxy)phosphane

C9H15O2P — CID 14092722

IUPACcyclopenta-2,4-dien-1-yl(diethoxy)phosphane
SMILESCCOP(OCC)C1C=CC=C1
InChIInChI=1S/C9H15O2P/c1-3-10-12(11-4-2)9-7-5-6-8-9/h5-9H,3-4H2,1-2H3
InChIKeyIAEDSOSXCLNBQF-UHFFFAOYSA-N
MW186.19 g/mol
LogP2.87
Rot. Bonds5

About cyclopenta-2,4-dien-1-yl(diethoxy)phosphane

cyclopenta-2,4-dien-1-yl(diethoxy)phosphane (PubChem CID 14092722) has the molecular formula C9H15O2P and a molecular weight of 186.19 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl(diethoxy)phosphane.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl(diethoxy)phosphane
PubChem CID14092722
Molecular FormulaC9H15O2P
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Namecyclopenta-2,4-dien-1-yl(diethoxy)phosphane
SMILESCCOP(OCC)C1C=CC=C1
InChIInChI=1S/C9H15O2P/c1-3-10-12(11-4-2)9-7-5-6-8-9/h5-9H,3-4H2,1-2H3
InChIKeyIAEDSOSXCLNBQF-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclopenta-2,4-dien-1-yl(diethoxy)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

[(2E,4E)-4-Methyl-2,4-hexadienyl]phosphonic acid diethyl ester
CID 10966369
(2E,4E)-1-diethoxyphosphorylnona-2,4-diene
CID 11043502
(3E)-6-dimethylphosphoryloxyhexa-1,3-diene
CID 20726635
1-Diethoxyphosphoryl-4-methylhexa-2,4-diene
CID 85349066
1-Diethoxyphosphorylcyclopenta-1,3-diene
CID 89073470
5-Diethoxyphosphorylcyclopenta-1,3-diene
CID 89702958
diethoxy-[(E)-pent-2-enyl]phosphane
CID 117787983
diethoxy-[(E)-hex-2-enyl]phosphane
CID 141473960
Cyclopenta-1,3-dien-1-yl(propoxy)phosphane
CID 141820459
[(2Z,4E,6E)-8,8-dimethylnona-2,4,6-trien-5-yl]-ethoxyphosphinous acid
CID 143275100
(3E,5Z)-4-(diethoxyphosphorylmethyl)octa-1,3,5,7-tetraene
CID 146502935
3,3-Bis(trimethylgermyl)propoxy-cyclopenta-2,4-dien-1-ylphosphane
CID 159118350

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl(diethoxy)phosphane?
The IUPAC name of cyclopenta-2,4-dien-1-yl(diethoxy)phosphane (CID 14092722) is cyclopenta-2,4-dien-1-yl(diethoxy)phosphane.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl(diethoxy)phosphane?
The canonical SMILES for cyclopenta-2,4-dien-1-yl(diethoxy)phosphane is CCOP(OCC)C1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-dien-1-yl(diethoxy)phosphane?
The InChIKey is IAEDSOSXCLNBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O2P/c1-3-10-12(11-4-2)9-7-5-6-8-9/h5-9H,3-4H2,1-2H3.
What are the key properties of cyclopenta-2,4-dien-1-yl(diethoxy)phosphane?
cyclopenta-2,4-dien-1-yl(diethoxy)phosphane has a molecular weight of 186.19 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl(diethoxy)phosphane is sourced from PubChem (CID 14092722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).