1-diethoxyphosphoryl-4-methylcyclohexene

C11H21O3P — CID 12856524

IUPAC1-diethoxyphosphoryl-4-methylcyclohexene
SMILESCCOP(=O)(OCC)C1=CCC(C)CC1
InChIInChI=1S/C11H21O3P/c1-4-13-15(12,14-5-2)11-8-6-10(3)7-9-11/h8,10H,4-7,9H2,1-3H3
InChIKeyJNEFOJZHUSEWRH-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.96
Rot. Bonds5

About 1-diethoxyphosphoryl-4-methylcyclohexene

1-diethoxyphosphoryl-4-methylcyclohexene (PubChem CID 12856524) has the molecular formula C11H21O3P and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-4-methylcyclohexene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-4-methylcyclohexene
PubChem CID12856524
Molecular FormulaC11H21O3P
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Name1-diethoxyphosphoryl-4-methylcyclohexene
SMILESCCOP(=O)(OCC)C1=CCC(C)CC1
InChIInChI=1S/C11H21O3P/c1-4-13-15(12,14-5-2)11-8-6-10(3)7-9-11/h8,10H,4-7,9H2,1-3H3
InChIKeyJNEFOJZHUSEWRH-UHFFFAOYSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-4-methylcyclohexene?
The IUPAC name of 1-diethoxyphosphoryl-4-methylcyclohexene (CID 12856524) is 1-diethoxyphosphoryl-4-methylcyclohexene.
What is the SMILES notation for 1-diethoxyphosphoryl-4-methylcyclohexene?
The canonical SMILES for 1-diethoxyphosphoryl-4-methylcyclohexene is CCOP(=O)(OCC)C1=CCC(C)CC1.
What is the InChIKey of 1-diethoxyphosphoryl-4-methylcyclohexene?
The InChIKey is JNEFOJZHUSEWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O3P/c1-4-13-15(12,14-5-2)11-8-6-10(3)7-9-11/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-4-methylcyclohexene?
1-diethoxyphosphoryl-4-methylcyclohexene has a molecular weight of 232.26 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-4-methylcyclohexene is sourced from PubChem (CID 12856524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).