2-[(E)-2-diethoxyphosphorylethenyl]-1,1-dimethylcyclopropane

C11H21O3P — CID 138983871

IUPAC2-[(E)-2-diethoxyphosphorylethenyl]-1,1-dimethylcyclopropane
SMILESCCOP(=O)(/C=C/C1CC1(C)C)OCC
InChIInChI=1S/C11H21O3P/c1-5-13-15(12,14-6-2)8-7-10-9-11(10,3)4/h7-8,10H,5-6,9H2,1-4H3/b8-7+
InChIKeyQVOVXNSGCUEDAG-BQYQJAHWSA-N
MW232.26 g/mol
LogP3.81
Rot. Bonds6

About 2-[(E)-2-diethoxyphosphorylethenyl]-1,1-dimethylcyclopropane

2-[(E)-2-diethoxyphosphorylethenyl]-1,1-dimethylcyclopropane (PubChem CID 138983871) has the molecular formula C11H21O3P and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-[(E)-2-diethoxyphosphorylethenyl]-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-[(E)-2-diethoxyphosphorylethenyl]-1,1-dimethylcyclopropane
PubChem CID138983871
Molecular FormulaC11H21O3P
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Name2-[(E)-2-diethoxyphosphorylethenyl]-1,1-dimethylcyclopropane
SMILESCCOP(=O)(/C=C/C1CC1(C)C)OCC
InChIInChI=1S/C11H21O3P/c1-5-13-15(12,14-6-2)8-7-10-9-11(10,3)4/h7-8,10H,5-6,9H2,1-4H3/b8-7+
InChIKeyQVOVXNSGCUEDAG-BQYQJAHWSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-diethoxyphosphorylethenyl]-1,1-dimethylcyclopropane 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

2-Diethoxyphosphorylhex-5-enylcyclopropane
CID 53392046
cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane
CID 58212706
[(1S,2S)-2-ethenyl-1-methylcyclopropyl]-ethoxy-oxophosphanium
CID 70640172
trans-(1S,2S)-1-diethoxyphosphoryl-2-ethenylcyclopropane
CID 88272832
(1S)-1-diethoxyphosphoryl-2-ethenylcyclopropane
CID 88273017
1-Diethoxyphosphoryl-2-ethenylcyclopropane
CID 102156837
1-Diethoxyphosphoryl-1,2-bis(ethenyl)cyclopropane
CID 123599491
trans-(2R,3R)-1-di(propan-2-yloxy)phosphoryl-2-ethenyl-3-methylcyclopropane
CID 101249807

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-diethoxyphosphorylethenyl]-1,1-dimethylcyclopropane?
The IUPAC name of 2-[(E)-2-diethoxyphosphorylethenyl]-1,1-dimethylcyclopropane (CID 138983871) is 2-[(E)-2-diethoxyphosphorylethenyl]-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-[(E)-2-diethoxyphosphorylethenyl]-1,1-dimethylcyclopropane?
The canonical SMILES for 2-[(E)-2-diethoxyphosphorylethenyl]-1,1-dimethylcyclopropane is CCOP(=O)(/C=C/C1CC1(C)C)OCC.
What is the InChIKey of 2-[(E)-2-diethoxyphosphorylethenyl]-1,1-dimethylcyclopropane?
The InChIKey is QVOVXNSGCUEDAG-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H21O3P/c1-5-13-15(12,14-6-2)8-7-10-9-11(10,3)4/h7-8,10H,5-6,9H2,1-4H3/b8-7+.
What are the key properties of 2-[(E)-2-diethoxyphosphorylethenyl]-1,1-dimethylcyclopropane?
2-[(E)-2-diethoxyphosphorylethenyl]-1,1-dimethylcyclopropane has a molecular weight of 232.26 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-diethoxyphosphorylethenyl]-1,1-dimethylcyclopropane is sourced from PubChem (CID 138983871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).