1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol

C11H21O4P — CID 15155086

IUPAC1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol
SMILESCCOP(=O)(CC1(O)C=CCCC1)OCC
InChIInChI=1S/C11H21O4P/c1-3-14-16(13,15-4-2)10-11(12)8-6-5-7-9-11/h6,8,12H,3-5,7,9-10H2,1-2H3
InChIKeyWTRGESMDJBPNDT-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.72
Rot. Bonds6

About 1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol

1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol (PubChem CID 15155086) has the molecular formula C11H21O4P and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol
PubChem CID15155086
Molecular FormulaC11H21O4P
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol
SMILESCCOP(=O)(CC1(O)C=CCCC1)OCC
InChIInChI=1S/C11H21O4P/c1-3-14-16(13,15-4-2)10-11(12)8-6-5-7-9-11/h6,8,12H,3-5,7,9-10H2,1-2H3
InChIKeyWTRGESMDJBPNDT-UHFFFAOYSA-N
XLogP2.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-hydroxybenzylphosphonate
CID 129729341
(1S,4S)-4-[diethoxyphosphoryl(difluoro)methyl]cyclohex-2-en-1-ol
CID 23421653
1-(3-Diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)cyclohex-2-en-1-ol
CID 71662167
1-(1-Diethoxyphosphorylethyl)-3-methylcyclohex-2-en-1-ol
CID 10516587
1-(Diethoxyphosphorylmethyl)-3-methylcyclohex-2-en-1-ol
CID 10539396
3-Chloro-1-(1-diethoxyphosphorylethyl)cyclohex-2-en-1-ol
CID 10613905
(1R,6S)-6-diethoxyphosphoryl-1-prop-2-enylcyclohex-2-en-1-ol
CID 10636035
1-(1-Diethoxyphosphorylprop-2-enyl)-3-methylcyclohex-2-en-1-ol
CID 10637080
3-Chloro-1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol
CID 10802888
1-Dimethoxyphosphorylcyclohex-2-en-1-ol
CID 11074531
1-(Diethoxyphosphorylmethyl)cyclopent-2-en-1-ol
CID 15155085
Pbbuqxfribtqho-uhfffaoysa-
CID 21637121

Frequently Asked Questions

What is the IUPAC name of 1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol?
The IUPAC name of 1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol (CID 15155086) is 1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol?
The canonical SMILES for 1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol is CCOP(=O)(CC1(O)C=CCCC1)OCC.
What is the InChIKey of 1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol?
The InChIKey is WTRGESMDJBPNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O4P/c1-3-14-16(13,15-4-2)10-11(12)8-6-5-7-9-11/h6,8,12H,3-5,7,9-10H2,1-2H3.
What are the key properties of 1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol?
1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol has a molecular weight of 248.26 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 15155086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).