1-cyclohexyl-1-diethoxyphosphorylbut-3-en-1-ol

C14H27O4P — CID 11426297

IUPAC1-cyclohexyl-1-diethoxyphosphorylbut-3-en-1-ol
SMILESC=CCC(O)(C1CCCCC1)P(=O)(OCC)OCC
InChIInChI=1S/C14H27O4P/c1-4-12-14(15,13-10-8-7-9-11-13)19(16,17-5-2)18-6-3/h4,13,15H,1,5-12H2,2-3H3
InChIKeyXLWICDMRGQYMPT-UHFFFAOYSA-N
MW290.34 g/mol
LogP4.10
Rot. Bonds8

About 1-cyclohexyl-1-diethoxyphosphorylbut-3-en-1-ol

1-cyclohexyl-1-diethoxyphosphorylbut-3-en-1-ol (PubChem CID 11426297) has the molecular formula C14H27O4P and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-cyclohexyl-1-diethoxyphosphorylbut-3-en-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-1-diethoxyphosphorylbut-3-en-1-ol
PubChem CID11426297
Molecular FormulaC14H27O4P
Molecular Weight290.34 g/mol
Exact Mass290.16
IUPAC Name1-cyclohexyl-1-diethoxyphosphorylbut-3-en-1-ol
SMILESC=CCC(O)(C1CCCCC1)P(=O)(OCC)OCC
InChIInChI=1S/C14H27O4P/c1-4-12-14(15,13-10-8-7-9-11-13)19(16,17-5-2)18-6-3/h4,13,15H,1,5-12H2,2-3H3
InChIKeyXLWICDMRGQYMPT-UHFFFAOYSA-N
XLogP4.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 54.10
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

1-Cyclohexylprop-2-enyl diethyl phosphate
CID 15098982
1-Cyclohexyl-2-(diethoxyphosphorylmethyl)pent-4-en-2-ol
CID 10543589
cis-(1S,2S)-2-diethoxyphosphoryl-1-prop-2-enylcyclohexan-1-ol
CID 10660075
trans-(1R,2R)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclohexan-1-ol
CID 23420160
1-Cyclohexyl-2-diethoxyphosphorylbut-3-en-1-ol
CID 100967857
1-Cyclohexylprop-2-enyl dihydrogen phosphate
CID 88232957
1-Cyclohexylethenyl diethyl phosphate
CID 102035159
2-Dimethoxyphosphoryl-1-(4-ethylidenecyclohexyl)ethanol
CID 135228965
(4-Hydroxy-5-prop-2-enyltetradec-1-en-4-yl)phosphonic acid
CID 155273287
(E)-1-diethoxyphosphoryl-3-methylundec-1-en-4-ol
CID 10663508
trans-(1S,2S)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclohexan-1-ol
CID 10803430
2-Cyclohexyl-1-diethoxyphosphorylpent-4-en-2-ol
CID 11066665

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-diethoxyphosphorylbut-3-en-1-ol?
The IUPAC name of 1-cyclohexyl-1-diethoxyphosphorylbut-3-en-1-ol (CID 11426297) is 1-cyclohexyl-1-diethoxyphosphorylbut-3-en-1-ol.
What is the SMILES notation for 1-cyclohexyl-1-diethoxyphosphorylbut-3-en-1-ol?
The canonical SMILES for 1-cyclohexyl-1-diethoxyphosphorylbut-3-en-1-ol is C=CCC(O)(C1CCCCC1)P(=O)(OCC)OCC.
What is the InChIKey of 1-cyclohexyl-1-diethoxyphosphorylbut-3-en-1-ol?
The InChIKey is XLWICDMRGQYMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O4P/c1-4-12-14(15,13-10-8-7-9-11-13)19(16,17-5-2)18-6-3/h4,13,15H,1,5-12H2,2-3H3.
What are the key properties of 1-cyclohexyl-1-diethoxyphosphorylbut-3-en-1-ol?
1-cyclohexyl-1-diethoxyphosphorylbut-3-en-1-ol has a molecular weight of 290.34 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-diethoxyphosphorylbut-3-en-1-ol is sourced from PubChem (CID 11426297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).