1-cyclohexylethenyl diphenyl phosphate

C20H23O4P — CID 102084155

IUPAC1-cyclohexylethenyl diphenyl phosphate
SMILESC=C(OP(=O)(Oc1ccccc1)Oc1ccccc1)C1CCCCC1
InChIInChI=1S/C20H23O4P/c1-17(18-11-5-2-6-12-18)22-25(21,23-19-13-7-3-8-14-19)24-20-15-9-4-10-16-20/h3-4,7-10,13-16,18H,1-2,5-6,11-12H2
InChIKeyNJAWKMIGMBNPRU-UHFFFAOYSA-N
MW358.37 g/mol
LogP6.36
Rot. Bonds7

About 1-cyclohexylethenyl diphenyl phosphate

1-cyclohexylethenyl diphenyl phosphate (PubChem CID 102084155) has the molecular formula C20H23O4P and a molecular weight of 358.37 g/mol. Its IUPAC name is 1-cyclohexylethenyl diphenyl phosphate.

Molecular Properties

Compound Name1-cyclohexylethenyl diphenyl phosphate
PubChem CID102084155
Molecular FormulaC20H23O4P
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name1-cyclohexylethenyl diphenyl phosphate
SMILESC=C(OP(=O)(Oc1ccccc1)Oc1ccccc1)C1CCCCC1
InChIInChI=1S/C20H23O4P/c1-17(18-11-5-2-6-12-18)22-25(21,23-19-13-7-3-8-14-19)24-20-15-9-4-10-16-20/h3-4,7-10,13-16,18H,1-2,5-6,11-12H2
InChIKeyNJAWKMIGMBNPRU-UHFFFAOYSA-N
XLogP6.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 56.36
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

[(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate
CID 98141630
[(1R,2R)-2-hydroxycyclohexyl] diphenyl phosphate
CID 165353141
N-[(1R,2R)-2-diphenoxyphosphorylcyclohexyl]benzamide
CID 102308889
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
[cyclohexyl(phenyl)phosphoryl]oxybenzene
CID 174639588
hydron;phenyl cycloheptanecarboxylate
CID 174768034
(dicyclohexylamino) phenyl hydrogen phosphate
CID 23023270
diphenyl 5-phenylpent-1-en-2-yl phosphate
CID 142711639
[1-cyclopentylethenyl(methyl)phosphoryl]benzene
CID 59707589
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;dihydrate
CID 21115845

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethenyl diphenyl phosphate?
The IUPAC name of 1-cyclohexylethenyl diphenyl phosphate (CID 102084155) is 1-cyclohexylethenyl diphenyl phosphate.
What is the SMILES notation for 1-cyclohexylethenyl diphenyl phosphate?
The canonical SMILES for 1-cyclohexylethenyl diphenyl phosphate is C=C(OP(=O)(Oc1ccccc1)Oc1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethenyl diphenyl phosphate?
The InChIKey is NJAWKMIGMBNPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23O4P/c1-17(18-11-5-2-6-12-18)22-25(21,23-19-13-7-3-8-14-19)24-20-15-9-4-10-16-20/h3-4,7-10,13-16,18H,1-2,5-6,11-12H2.
What are the key properties of 1-cyclohexylethenyl diphenyl phosphate?
1-cyclohexylethenyl diphenyl phosphate has a molecular weight of 358.37 g/mol, XLogP of 6.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethenyl diphenyl phosphate is sourced from PubChem (CID 102084155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).