3-(diethoxyphosphorylmethyl)cyclohexene

C11H21O3P — CID 14967988

IUPAC3-(diethoxyphosphorylmethyl)cyclohexene
SMILESCCOP(=O)(CC1C=CCCC1)OCC
InChIInChI=1S/C11H21O3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h6,8,11H,3-5,7,9-10H2,1-2H3
InChIKeyMYPYMTYQVKUHIA-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.61
Rot. Bonds6

About 3-(diethoxyphosphorylmethyl)cyclohexene

3-(diethoxyphosphorylmethyl)cyclohexene (PubChem CID 14967988) has the molecular formula C11H21O3P and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-(diethoxyphosphorylmethyl)cyclohexene.

Molecular Properties

Compound Name3-(diethoxyphosphorylmethyl)cyclohexene
PubChem CID14967988
Molecular FormulaC11H21O3P
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Name3-(diethoxyphosphorylmethyl)cyclohexene
SMILESCCOP(=O)(CC1C=CCCC1)OCC
InChIInChI=1S/C11H21O3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h6,8,11H,3-5,7,9-10H2,1-2H3
InChIKeyMYPYMTYQVKUHIA-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.61
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

(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
4-Diethoxyphosphorylcyclohexene
CID 85519806
1-Diethoxyphosphorylcyclohexene
CID 10560750
5-Diethoxyphosphorylbicyclo[2.2.1]hept-2-ene
CID 14249797
(6S)-9-diethoxyphosphoryl-9-fluoro-2,6-dimethylnon-2-ene
CID 101149178
Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate
CID 277402
1-(Diethoxyphosphorylmethyl)cyclohexene
CID 11096460
(E)-2-diethoxyphosphoryl-5-methylhex-2-ene
CID 13613006
(E)-3-diethoxyphosphoryl-6-methylhept-3-ene
CID 13613018
diethyl (E)-(2-cyclohexylvinyl)phosphonate
CID 14493786
(Z)-5-diethoxyphosphoryl-3-methylnon-4-ene
CID 101401800
(Z)-4-diethoxyphosphoryl-2-methyloct-3-ene
CID 101401802

Frequently Asked Questions

What is the IUPAC name of 3-(diethoxyphosphorylmethyl)cyclohexene?
The IUPAC name of 3-(diethoxyphosphorylmethyl)cyclohexene (CID 14967988) is 3-(diethoxyphosphorylmethyl)cyclohexene.
What is the SMILES notation for 3-(diethoxyphosphorylmethyl)cyclohexene?
The canonical SMILES for 3-(diethoxyphosphorylmethyl)cyclohexene is CCOP(=O)(CC1C=CCCC1)OCC.
What is the InChIKey of 3-(diethoxyphosphorylmethyl)cyclohexene?
The InChIKey is MYPYMTYQVKUHIA-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/h6,8,11H,3-5,7,9-10H2,1-2H3.
What are the key properties of 3-(diethoxyphosphorylmethyl)cyclohexene?
3-(diethoxyphosphorylmethyl)cyclohexene has a molecular weight of 232.26 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxyphosphorylmethyl)cyclohexene is sourced from PubChem (CID 14967988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).