diethoxyphosphorylmethylidenecyclohexane

C11H21O3P — CID 12860450

IUPACdiethoxyphosphorylmethylidenecyclohexane
SMILESCCOP(=O)(C=C1CCCCC1)OCC
InChIInChI=1S/C11H21O3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h10H,3-9H2,1-2H3
InChIKeyWLXZRGMSLXHTOU-UHFFFAOYSA-N
MW232.26 g/mol
LogP4.10
Rot. Bonds5

About diethoxyphosphorylmethylidenecyclohexane

diethoxyphosphorylmethylidenecyclohexane (PubChem CID 12860450) has the molecular formula C11H21O3P and a molecular weight of 232.26 g/mol. Its IUPAC name is diethoxyphosphorylmethylidenecyclohexane.

Molecular Properties

Compound Namediethoxyphosphorylmethylidenecyclohexane
PubChem CID12860450
Molecular FormulaC11H21O3P
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Namediethoxyphosphorylmethylidenecyclohexane
SMILESCCOP(=O)(C=C1CCCCC1)OCC
InChIInChI=1S/C11H21O3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h10H,3-9H2,1-2H3
InChIKeyWLXZRGMSLXHTOU-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
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
Phosphonic acid, (cyclohexylideneethenyl)-, dimethyl ester
CID 11074798
6-Diethoxyphosphorylhept-1-ene
CID 85795853
(2-Bromo-2-diethoxyphosphorylethenylidene)cyclohexane
CID 101038231
(E)-1-diethoxyphosphorylhept-1-ene
CID 10879051
(3Z)-3-(diethoxyphosphorylmethylidene)heptane
CID 10562512
(Z)-1-diethoxyphosphoryl-2-methylhex-1-ene
CID 10633435
5-(Diethoxyphosphorylmethylidene)nonane
CID 10660090
(E)-1-diethoxyphosphoryl-2-methyloct-1-ene
CID 10849072
1-(Diethoxyphosphorylmethyl)cyclohexene
CID 11096460
3-(Diethoxyphosphorylmethyl)hepta-1,2-diene
CID 12533983

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphorylmethylidenecyclohexane?
The IUPAC name of diethoxyphosphorylmethylidenecyclohexane (CID 12860450) is diethoxyphosphorylmethylidenecyclohexane.
What is the SMILES notation for diethoxyphosphorylmethylidenecyclohexane?
The canonical SMILES for diethoxyphosphorylmethylidenecyclohexane is CCOP(=O)(C=C1CCCCC1)OCC.
What is the InChIKey of diethoxyphosphorylmethylidenecyclohexane?
The InChIKey is WLXZRGMSLXHTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h10H,3-9H2,1-2H3.
What are the key properties of diethoxyphosphorylmethylidenecyclohexane?
diethoxyphosphorylmethylidenecyclohexane has a molecular weight of 232.26 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphorylmethylidenecyclohexane is sourced from PubChem (CID 12860450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).