1-cyclohexylethenyl diethyl phosphate

C12H23O4P — CID 102035159

IUPAC1-cyclohexylethenyl diethyl phosphate
SMILESC=C(OP(=O)(OCC)OCC)C1CCCCC1
InChIInChI=1S/C12H23O4P/c1-4-14-17(13,15-5-2)16-11(3)12-9-7-6-8-10-12/h12H,3-10H2,1-2H3
InChIKeyAIPUXTRKMLKYFQ-UHFFFAOYSA-N
MW262.29 g/mol
LogP4.28
Rot. Bonds7

About 1-cyclohexylethenyl diethyl phosphate

1-cyclohexylethenyl diethyl phosphate (PubChem CID 102035159) has the molecular formula C12H23O4P and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-cyclohexylethenyl diethyl phosphate.

Molecular Properties

Compound Name1-cyclohexylethenyl diethyl phosphate
PubChem CID102035159
Molecular FormulaC12H23O4P
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Name1-cyclohexylethenyl diethyl phosphate
SMILESC=C(OP(=O)(OCC)OCC)C1CCCCC1
InChIInChI=1S/C12H23O4P/c1-4-14-17(13,15-5-2)16-11(3)12-9-7-6-8-10-12/h12H,3-10H2,1-2H3
InChIKeyAIPUXTRKMLKYFQ-UHFFFAOYSA-N
XLogP4.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexylprop-2-enyl diethyl phosphate
CID 15098982
1-Cyclohexylethenyl-ethoxy-oxophosphanium
CID 66796818
1-Cyclohexylethenyl-cyclohexyloxy-oxophosphanium
CID 66797035
1-Cyclohexylprop-2-enyl dihydrogen phosphate
CID 88232957
1-[Ethoxy(hex-1-ynyl)phosphoryl]oxyethenylcyclohexane
CID 118218015
1-(2-Dimethoxyphosphorylethoxymethyl)-4-methylidenecyclohexane
CID 132261829
2-(1-Cyclohexylethenoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 145830111
1-Cyclohexylethenyl dimethyl phosphate
CID 145830114
2-(1-Cyclohexylethenoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 145830122
1-Cyclohexyl-1-diethoxyphosphorylbut-3-en-1-ol
CID 11426297
[(3S,5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohexen-1-yl] diethyl phosphate
CID 11808819
4,7-Dimethyloct-7-enyl dihydrogen phosphate
CID 143763778

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethenyl diethyl phosphate?
The IUPAC name of 1-cyclohexylethenyl diethyl phosphate (CID 102035159) is 1-cyclohexylethenyl diethyl phosphate.
What is the SMILES notation for 1-cyclohexylethenyl diethyl phosphate?
The canonical SMILES for 1-cyclohexylethenyl diethyl phosphate is C=C(OP(=O)(OCC)OCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethenyl diethyl phosphate?
The InChIKey is AIPUXTRKMLKYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O4P/c1-4-14-17(13,15-5-2)16-11(3)12-9-7-6-8-10-12/h12H,3-10H2,1-2H3.
What are the key properties of 1-cyclohexylethenyl diethyl phosphate?
1-cyclohexylethenyl diethyl phosphate has a molecular weight of 262.29 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethenyl diethyl phosphate is sourced from PubChem (CID 102035159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).