4,4-bis(diethoxyphosphoryl)-1,2-dimethylcyclohexene

C16H32O6P2 — CID 11143434

IUPAC4,4-bis(diethoxyphosphoryl)-1,2-dimethylcyclohexene
SMILESCCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CCC(C)=C(C)C1
InChIInChI=1S/C16H32O6P2/c1-7-19-23(17,20-8-2)16(12-11-14(5)15(6)13-16)24(18,21-9-3)22-10-4/h7-13H2,1-6H3
InChIKeyHSZUZBUHVQXKKH-UHFFFAOYSA-N
MW382.37 g/mol
LogP5.74
Rot. Bonds10

About 4,4-bis(diethoxyphosphoryl)-1,2-dimethylcyclohexene

4,4-bis(diethoxyphosphoryl)-1,2-dimethylcyclohexene (PubChem CID 11143434) has the molecular formula C16H32O6P2 and a molecular weight of 382.37 g/mol. Its IUPAC name is 4,4-bis(diethoxyphosphoryl)-1,2-dimethylcyclohexene.

Molecular Properties

Compound Name4,4-bis(diethoxyphosphoryl)-1,2-dimethylcyclohexene
PubChem CID11143434
Molecular FormulaC16H32O6P2
Molecular Weight382.37 g/mol
Exact Mass382.17
IUPAC Name4,4-bis(diethoxyphosphoryl)-1,2-dimethylcyclohexene
SMILESCCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CCC(C)=C(C)C1
InChIInChI=1S/C16H32O6P2/c1-7-19-23(17,20-8-2)16(12-11-14(5)15(6)13-16)24(18,21-9-3)22-10-4/h7-13H2,1-6H3
InChIKeyHSZUZBUHVQXKKH-UHFFFAOYSA-N
XLogP5.74
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.37
LogP ≤ 55.74
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)-1,2-dimethylcyclohexene 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

1-[Bis(diethoxyphosphoryl)methyl]cyclohexene
CID 85686325
Tetraisopropyl [cyclopent-1-ene-1,2-diyldi-(methylene)]bisphosphonate
CID 129753870
1-(Diethoxyphosphorylmethyl)-2-pentylcyclohexene
CID 134877807
1-(Diethoxyphosphorylmethyl)-2-methylcyclohexene
CID 134894958
(E)-1,1-bis(diethoxyphosphoryl)-2,3-dimethyloct-2-ene
CID 134929354
1-[Bis(diethoxyphosphoryl)methyl]-2-methylcyclohexene
CID 134929435
(E)-1,1-bis(diethoxyphosphoryl)-3-methyloct-2-ene
CID 134930081
(E)-1,1-bis(diethoxyphosphoryl)-2-methyloct-2-ene
CID 134930270
(Z)-2-dibutoxyphosphoryl-3-methylundec-2-ene
CID 134934470
9-(1-Dibutoxyphosphorylethylidene)heptadecane
CID 134934471
1-[Bis(diethoxyphosphoryl)methyl]-2-pentylcyclohexene
CID 134937514
1,2-Bis(diethoxyphosphoryl)cyclohexene
CID 276094

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(diethoxyphosphoryl)-1,2-dimethylcyclohexene?
The IUPAC name of 4,4-bis(diethoxyphosphoryl)-1,2-dimethylcyclohexene (CID 11143434) is 4,4-bis(diethoxyphosphoryl)-1,2-dimethylcyclohexene.
What is the SMILES notation for 4,4-bis(diethoxyphosphoryl)-1,2-dimethylcyclohexene?
The canonical SMILES for 4,4-bis(diethoxyphosphoryl)-1,2-dimethylcyclohexene is CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CCC(C)=C(C)C1.
What is the InChIKey of 4,4-bis(diethoxyphosphoryl)-1,2-dimethylcyclohexene?
The InChIKey is HSZUZBUHVQXKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O6P2/c1-7-19-23(17,20-8-2)16(12-11-14(5)15(6)13-16)24(18,21-9-3)22-10-4/h7-13H2,1-6H3.
What are the key properties of 4,4-bis(diethoxyphosphoryl)-1,2-dimethylcyclohexene?
4,4-bis(diethoxyphosphoryl)-1,2-dimethylcyclohexene has a molecular weight of 382.37 g/mol, XLogP of 5.74, 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)-1,2-dimethylcyclohexene is sourced from PubChem (CID 11143434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).