[chloro(diethoxyphosphoryl)methylidene]cyclohexane

C11H20ClO3P — CID 10355595

IUPAC[chloro(diethoxyphosphoryl)methylidene]cyclohexane
SMILESCCOP(=O)(OCC)C(Cl)=C1CCCCC1
InChIInChI=1S/C11H20ClO3P/c1-3-14-16(13,15-4-2)11(12)10-8-6-5-7-9-10/h3-9H2,1-2H3
InChIKeyMIGGLOSQLJFETL-UHFFFAOYSA-N
MW266.70 g/mol
LogP4.67
Rot. Bonds5

About [chloro(diethoxyphosphoryl)methylidene]cyclohexane

[chloro(diethoxyphosphoryl)methylidene]cyclohexane (PubChem CID 10355595) has the molecular formula C11H20ClO3P and a molecular weight of 266.70 g/mol. Its IUPAC name is [chloro(diethoxyphosphoryl)methylidene]cyclohexane.

Molecular Properties

Compound Name[chloro(diethoxyphosphoryl)methylidene]cyclohexane
PubChem CID10355595
Molecular FormulaC11H20ClO3P
Molecular Weight266.70 g/mol
Exact Mass266.08
IUPAC Name[chloro(diethoxyphosphoryl)methylidene]cyclohexane
SMILESCCOP(=O)(OCC)C(Cl)=C1CCCCC1
InChIInChI=1S/C11H20ClO3P/c1-3-14-16(13,15-4-2)11(12)10-8-6-5-7-9-10/h3-9H2,1-2H3
InChIKeyMIGGLOSQLJFETL-UHFFFAOYSA-N
XLogP4.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 54.67
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 [chloro(diethoxyphosphoryl)methylidene]cyclohexane?
The IUPAC name of [chloro(diethoxyphosphoryl)methylidene]cyclohexane (CID 10355595) is [chloro(diethoxyphosphoryl)methylidene]cyclohexane.
What is the SMILES notation for [chloro(diethoxyphosphoryl)methylidene]cyclohexane?
The canonical SMILES for [chloro(diethoxyphosphoryl)methylidene]cyclohexane is CCOP(=O)(OCC)C(Cl)=C1CCCCC1.
What is the InChIKey of [chloro(diethoxyphosphoryl)methylidene]cyclohexane?
The InChIKey is MIGGLOSQLJFETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClO3P/c1-3-14-16(13,15-4-2)11(12)10-8-6-5-7-9-10/h3-9H2,1-2H3.
What are the key properties of [chloro(diethoxyphosphoryl)methylidene]cyclohexane?
[chloro(diethoxyphosphoryl)methylidene]cyclohexane has a molecular weight of 266.70 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(diethoxyphosphoryl)methylidene]cyclohexane is sourced from PubChem (CID 10355595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).