4,4-bis(diethoxyphosphoryl)cyclohexene

C14H28O6P2 — CID 11110996

IUPAC4,4-bis(diethoxyphosphoryl)cyclohexene
SMILESCCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CC=CCC1
InChIInChI=1S/C14H28O6P2/c1-5-17-21(15,18-6-2)14(12-10-9-11-13-14)22(16,19-7-3)20-8-4/h9-10H,5-8,11-13H2,1-4H3
InChIKeyQHPBIYUFMIDWBP-UHFFFAOYSA-N
MW354.32 g/mol
LogP4.95
Rot. Bonds10

About 4,4-bis(diethoxyphosphoryl)cyclohexene

4,4-bis(diethoxyphosphoryl)cyclohexene (PubChem CID 11110996) has the molecular formula C14H28O6P2 and a molecular weight of 354.32 g/mol. Its IUPAC name is 4,4-bis(diethoxyphosphoryl)cyclohexene.

Molecular Properties

Compound Name4,4-bis(diethoxyphosphoryl)cyclohexene
PubChem CID11110996
Molecular FormulaC14H28O6P2
Molecular Weight354.32 g/mol
Exact Mass354.14
IUPAC Name4,4-bis(diethoxyphosphoryl)cyclohexene
SMILESCCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CC=CCC1
InChIInChI=1S/C14H28O6P2/c1-5-17-21(15,18-6-2)14(12-10-9-11-13-14)22(16,19-7-3)20-8-4/h9-10H,5-8,11-13H2,1-4H3
InChIKeyQHPBIYUFMIDWBP-UHFFFAOYSA-N
XLogP4.95
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4,4-bis(diethoxyphosphoryl)cyclohexene 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

Phosphoric acid mono-((E)-dec-4-enyl) ester
CID 11276402
(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
4-Diethoxyphosphorylcyclohexene
CID 85519806
1-Diethoxyphosphorylcyclohexene
CID 10560750
Diethoxyphosphorylcyclopentene
CID 10774533
(E)-4-diethoxyphosphoryloct-4-ene
CID 12160036
(4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene
CID 10589442
ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
CID 11287176
6,6-Bis(diethoxyphosphoryl)hex-1-ene
CID 11462423
1-Diethoxyphosphorylcycloheptene
CID 12856521
1-[Bis(diethoxyphosphoryl)methyl]cyclohexene
CID 85686325

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(diethoxyphosphoryl)cyclohexene?
The IUPAC name of 4,4-bis(diethoxyphosphoryl)cyclohexene (CID 11110996) is 4,4-bis(diethoxyphosphoryl)cyclohexene.
What is the SMILES notation for 4,4-bis(diethoxyphosphoryl)cyclohexene?
The canonical SMILES for 4,4-bis(diethoxyphosphoryl)cyclohexene is CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CC=CCC1.
What is the InChIKey of 4,4-bis(diethoxyphosphoryl)cyclohexene?
The InChIKey is QHPBIYUFMIDWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O6P2/c1-5-17-21(15,18-6-2)14(12-10-9-11-13-14)22(16,19-7-3)20-8-4/h9-10H,5-8,11-13H2,1-4H3.
What are the key properties of 4,4-bis(diethoxyphosphoryl)cyclohexene?
4,4-bis(diethoxyphosphoryl)cyclohexene has a molecular weight of 354.32 g/mol, XLogP of 4.95, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(diethoxyphosphoryl)cyclohexene is sourced from PubChem (CID 11110996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).