[(E)-2-[ethoxy(methyl)phosphoryl]ethenyl]cyclohexane

C11H21O2P — CID 11085208

IUPAC[(E)-2-[ethoxy(methyl)phosphoryl]ethenyl]cyclohexane
SMILESCCOP(C)(=O)/C=C/C1CCCCC1
InChIInChI=1S/C11H21O2P/c1-3-13-14(2,12)10-9-11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3/b10-9+
InChIKeyIPALKAPXLNKSFJ-MDZDMXLPSA-N
MW216.26 g/mol
LogP4.02
Rot. Bonds4

About [(E)-2-[ethoxy(methyl)phosphoryl]ethenyl]cyclohexane

[(E)-2-[ethoxy(methyl)phosphoryl]ethenyl]cyclohexane (PubChem CID 11085208) has the molecular formula C11H21O2P and a molecular weight of 216.26 g/mol. Its IUPAC name is [(E)-2-[ethoxy(methyl)phosphoryl]ethenyl]cyclohexane.

Molecular Properties

Compound Name[(E)-2-[ethoxy(methyl)phosphoryl]ethenyl]cyclohexane
PubChem CID11085208
Molecular FormulaC11H21O2P
Molecular Weight216.26 g/mol
Exact Mass216.13
IUPAC Name[(E)-2-[ethoxy(methyl)phosphoryl]ethenyl]cyclohexane
SMILESCCOP(C)(=O)/C=C/C1CCCCC1
InChIInChI=1S/C11H21O2P/c1-3-13-14(2,12)10-9-11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3/b10-9+
InChIKeyIPALKAPXLNKSFJ-MDZDMXLPSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium
CID 68926876
diethyl (E)-(2-cyclohexylvinyl)phosphonate
CID 14493786
[(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane
CID 101157518
Ethyl 3-bromo-propenyl-cyclohexylmethyl-phosphinate
CID 129734538
Diethyl 2-methyl-3-cyclohexenylphosphonate
CID 129813730
(1E)-1-(diethoxyphosphorylmethylidene)-2-pentylcyclohexane
CID 134877861
(1E)-1-(diethoxyphosphorylmethylidene)-2-methylcyclohexane
CID 134895021
(E)-1-diethoxyphosphoryl-3-methyloct-1-ene
CID 134895029
[(Z)-2-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethenyl]cyclohexane
CID 10861149
(1E,4S)-1-(diethoxyphosphorylmethylidene)-2-fluoro-4-prop-1-en-2-ylcyclohexane
CID 101027986
3-(Diethoxyphosphorylmethyl)cyclohexene
CID 14967988
1-Dimethoxyphosphorylethenylcyclohexane
CID 12464988

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[ethoxy(methyl)phosphoryl]ethenyl]cyclohexane?
The IUPAC name of [(E)-2-[ethoxy(methyl)phosphoryl]ethenyl]cyclohexane (CID 11085208) is [(E)-2-[ethoxy(methyl)phosphoryl]ethenyl]cyclohexane.
What is the SMILES notation for [(E)-2-[ethoxy(methyl)phosphoryl]ethenyl]cyclohexane?
The canonical SMILES for [(E)-2-[ethoxy(methyl)phosphoryl]ethenyl]cyclohexane is CCOP(C)(=O)/C=C/C1CCCCC1.
What is the InChIKey of [(E)-2-[ethoxy(methyl)phosphoryl]ethenyl]cyclohexane?
The InChIKey is IPALKAPXLNKSFJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H21O2P/c1-3-13-14(2,12)10-9-11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3/b10-9+.
What are the key properties of [(E)-2-[ethoxy(methyl)phosphoryl]ethenyl]cyclohexane?
[(E)-2-[ethoxy(methyl)phosphoryl]ethenyl]cyclohexane has a molecular weight of 216.26 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[ethoxy(methyl)phosphoryl]ethenyl]cyclohexane is sourced from PubChem (CID 11085208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).