1-diethoxyphosphoryl-4-methylidenecyclohexane

C11H21O3P — CID 91254830

IUPAC1-diethoxyphosphoryl-4-methylidenecyclohexane
SMILESC=C1CCC(P(=O)(OCC)OCC)CC1
InChIInChI=1S/C11H21O3P/c1-4-13-15(12,14-5-2)11-8-6-10(3)7-9-11/h11H,3-9H2,1-2H3
InChIKeyYOUBWNUPJSYZIA-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.75
Rot. Bonds5

About 1-diethoxyphosphoryl-4-methylidenecyclohexane

1-diethoxyphosphoryl-4-methylidenecyclohexane (PubChem CID 91254830) has the molecular formula C11H21O3P and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-4-methylidenecyclohexane
PubChem CID91254830
Molecular FormulaC11H21O3P
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Name1-diethoxyphosphoryl-4-methylidenecyclohexane
SMILESC=C1CCC(P(=O)(OCC)OCC)CC1
InChIInChI=1S/C11H21O3P/c1-4-13-15(12,14-5-2)11-8-6-10(3)7-9-11/h11H,3-9H2,1-2H3
InChIKeyYOUBWNUPJSYZIA-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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
Diethoxyphosphorylmethylidenecyclohexane
CID 12860450
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

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-4-methylidenecyclohexane?
The IUPAC name of 1-diethoxyphosphoryl-4-methylidenecyclohexane (CID 91254830) is 1-diethoxyphosphoryl-4-methylidenecyclohexane.
What is the SMILES notation for 1-diethoxyphosphoryl-4-methylidenecyclohexane?
The canonical SMILES for 1-diethoxyphosphoryl-4-methylidenecyclohexane is C=C1CCC(P(=O)(OCC)OCC)CC1.
What is the InChIKey of 1-diethoxyphosphoryl-4-methylidenecyclohexane?
The InChIKey is YOUBWNUPJSYZIA-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/h11H,3-9H2,1-2H3.
What are the key properties of 1-diethoxyphosphoryl-4-methylidenecyclohexane?
1-diethoxyphosphoryl-4-methylidenecyclohexane has a molecular weight of 232.26 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-4-methylidenecyclohexane is sourced from PubChem (CID 91254830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).