(2-chloro-2-diethoxyphosphorylethenylidene)cyclohexane

C12H20ClO3P — CID 134922007

IUPAC(2-chloro-2-diethoxyphosphorylethenylidene)cyclohexane
SMILESCCOP(=O)(OCC)C(Cl)=C=C1CCCCC1
InChIInChI=1S/C12H20ClO3P/c1-3-15-17(14,16-4-2)12(13)10-11-8-6-5-7-9-11/h3-9H2,1-2H3
InChIKeyNGFWXQKUDXPRJO-UHFFFAOYSA-N
MW278.72 g/mol
LogP4.82
Rot. Bonds5

About (2-chloro-2-diethoxyphosphorylethenylidene)cyclohexane

(2-chloro-2-diethoxyphosphorylethenylidene)cyclohexane (PubChem CID 134922007) has the molecular formula C12H20ClO3P and a molecular weight of 278.72 g/mol. Its IUPAC name is (2-chloro-2-diethoxyphosphorylethenylidene)cyclohexane.

Molecular Properties

Compound Name(2-chloro-2-diethoxyphosphorylethenylidene)cyclohexane
PubChem CID134922007
Molecular FormulaC12H20ClO3P
Molecular Weight278.72 g/mol
Exact Mass278.08
IUPAC Name(2-chloro-2-diethoxyphosphorylethenylidene)cyclohexane
SMILESCCOP(=O)(OCC)C(Cl)=C=C1CCCCC1
InChIInChI=1S/C12H20ClO3P/c1-3-15-17(14,16-4-2)12(13)10-11-8-6-5-7-9-11/h3-9H2,1-2H3
InChIKeyNGFWXQKUDXPRJO-UHFFFAOYSA-N
XLogP4.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl (2-cyclohexylideneethenyl)phosphonate
CID 12473820
[Chloro(diethoxyphosphoryl)methylidene]cyclohexane
CID 10355595
Diethoxyphosphorylmethylidenecyclohexane
CID 12860450
(2-Bromo-2-diethoxyphosphorylethenylidene)cyclohexane
CID 101038231
1-Chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene
CID 134987925
[Chloro(diethoxyphosphoryl)methylidene]cyclopentane
CID 10824734
(E)-1-chloro-1-diethoxyphosphorylhept-1-ene
CID 10923566
(Z)-1-chloro-1-diethoxyphosphorylhept-1-ene
CID 134992849
1-Diethoxyphosphoryl-4-methylidenecyclohexane
CID 91254830
1-Chloro-4-diethoxyphosphoryl-2-methylocta-2,3-diene
CID 12007355
1-Chloro-4-diethoxyphosphoryl-2-methylnona-2,3-diene
CID 12007356
Dipropyl (2-cyclohexylideneethenyl)phosphonate
CID 12473822

Frequently Asked Questions

What is the IUPAC name of (2-chloro-2-diethoxyphosphorylethenylidene)cyclohexane?
The IUPAC name of (2-chloro-2-diethoxyphosphorylethenylidene)cyclohexane (CID 134922007) is (2-chloro-2-diethoxyphosphorylethenylidene)cyclohexane.
What is the SMILES notation for (2-chloro-2-diethoxyphosphorylethenylidene)cyclohexane?
The canonical SMILES for (2-chloro-2-diethoxyphosphorylethenylidene)cyclohexane is CCOP(=O)(OCC)C(Cl)=C=C1CCCCC1.
What is the InChIKey of (2-chloro-2-diethoxyphosphorylethenylidene)cyclohexane?
The InChIKey is NGFWXQKUDXPRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClO3P/c1-3-15-17(14,16-4-2)12(13)10-11-8-6-5-7-9-11/h3-9H2,1-2H3.
What are the key properties of (2-chloro-2-diethoxyphosphorylethenylidene)cyclohexane?
(2-chloro-2-diethoxyphosphorylethenylidene)cyclohexane has a molecular weight of 278.72 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-2-diethoxyphosphorylethenylidene)cyclohexane is sourced from PubChem (CID 134922007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).