1-diethoxyphosphorylcyclohexene

C10H19O3P — CID 10560750

IUPAC1-diethoxyphosphorylcyclohexene
SMILESCCOP(=O)(OCC)C1=CCCCC1
InChIInChI=1S/C10H19O3P/c1-3-12-14(11,13-4-2)10-8-6-5-7-9-10/h8H,3-7,9H2,1-2H3
InChIKeyLKZVEBMWBIQOFK-UHFFFAOYSA-N
MW218.23 g/mol
LogP3.71
Rot. Bonds5

About 1-diethoxyphosphorylcyclohexene

1-diethoxyphosphorylcyclohexene (PubChem CID 10560750) has the molecular formula C10H19O3P and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-diethoxyphosphorylcyclohexene.

Molecular Properties

Compound Name1-diethoxyphosphorylcyclohexene
PubChem CID10560750
Molecular FormulaC10H19O3P
Molecular Weight218.23 g/mol
Exact Mass218.11
IUPAC Name1-diethoxyphosphorylcyclohexene
SMILESCCOP(=O)(OCC)C1=CCCCC1
InChIInChI=1S/C10H19O3P/c1-3-12-14(11,13-4-2)10-8-6-5-7-9-10/h8H,3-7,9H2,1-2H3
InChIKeyLKZVEBMWBIQOFK-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 53.71
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-diethoxyphosphorylcyclohexene?
The IUPAC name of 1-diethoxyphosphorylcyclohexene (CID 10560750) is 1-diethoxyphosphorylcyclohexene.
What is the SMILES notation for 1-diethoxyphosphorylcyclohexene?
The canonical SMILES for 1-diethoxyphosphorylcyclohexene is CCOP(=O)(OCC)C1=CCCCC1.
What is the InChIKey of 1-diethoxyphosphorylcyclohexene?
The InChIKey is LKZVEBMWBIQOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O3P/c1-3-12-14(11,13-4-2)10-8-6-5-7-9-10/h8H,3-7,9H2,1-2H3.
What are the key properties of 1-diethoxyphosphorylcyclohexene?
1-diethoxyphosphorylcyclohexene has a molecular weight of 218.23 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylcyclohexene is sourced from PubChem (CID 10560750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).