[(Z)-1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethenyl] diethyl phosphate

C16H29O5P — CID 135068360

IUPAC[(Z)-1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethenyl] diethyl phosphate
SMILESCCOP(=O)(OCC)O/C(=C\OC(C)(C)C)C1=CCCCC1
InChIInChI=1S/C16H29O5P/c1-6-19-22(17,20-7-2)21-15(13-18-16(3,4)5)14-11-9-8-10-12-14/h11,13H,6-10,12H2,1-5H3/b15-13-
InChIKeyPYIRDEOEGVJGOJ-SQFISAMPSA-N
MW332.38 g/mol
LogP5.34
Rot. Bonds8

About [(Z)-1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethenyl] diethyl phosphate

[(Z)-1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethenyl] diethyl phosphate (PubChem CID 135068360) has the molecular formula C16H29O5P and a molecular weight of 332.38 g/mol. Its IUPAC name is [(Z)-1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethenyl] diethyl phosphate.

Molecular Properties

Compound Name[(Z)-1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethenyl] diethyl phosphate
PubChem CID135068360
Molecular FormulaC16H29O5P
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC Name[(Z)-1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethenyl] diethyl phosphate
SMILESCCOP(=O)(OCC)O/C(=C\OC(C)(C)C)C1=CCCCC1
InChIInChI=1S/C16H29O5P/c1-6-19-22(17,20-7-2)21-15(13-18-16(3,4)5)14-11-9-8-10-12-14/h11,13H,6-10,12H2,1-5H3/b15-13-
InChIKeyPYIRDEOEGVJGOJ-SQFISAMPSA-N
XLogP5.34
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

S-[(Z)-2-(cyclohexen-1-yl)-2-diethoxyphosphoryloxyethenyl] 2,2-dimethylpropanethioate
CID 134933099
[(Z)-1-(cyclohexen-1-yl)-2-diphenoxyphosphorylsulfanylethenyl] diethyl phosphate
CID 134931910
cyclohexen-1-yl(diethoxyphosphoryl)methanone
CID 13278398
1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene
CID 12672249
1-(cyclohexen-1-yl)-2-diethoxyphosphorylselanylethanone
CID 100960928
ethyl cycloundecene-1-carboxylate
CID 154164177
ethyl (Z)-4-chloro-3-(cyclohexen-1-yl)-2-oxobut-3-enoate
CID 24854476
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
ethyl 2-(cyclohepten-1-yl)-2-oxoacetate
CID 14387210
1-(cycloocten-1-yl)-2-ethoxyethanone
CID 106651939
diethyl 1-phenylprop-1-enyl phosphate
CID 71355749
2-(cyclohexen-1-yl)-3,4,4-trimethylpent-2-enal
CID 140525623

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethenyl] diethyl phosphate?
The IUPAC name of [(Z)-1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethenyl] diethyl phosphate (CID 135068360) is [(Z)-1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethenyl] diethyl phosphate.
What is the SMILES notation for [(Z)-1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethenyl] diethyl phosphate?
The canonical SMILES for [(Z)-1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethenyl] diethyl phosphate is CCOP(=O)(OCC)O/C(=C\OC(C)(C)C)C1=CCCCC1.
What is the InChIKey of [(Z)-1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethenyl] diethyl phosphate?
The InChIKey is PYIRDEOEGVJGOJ-SQFISAMPSA-N. The full InChI is InChI=1S/C16H29O5P/c1-6-19-22(17,20-7-2)21-15(13-18-16(3,4)5)14-11-9-8-10-12-14/h11,13H,6-10,12H2,1-5H3/b15-13-.
What are the key properties of [(Z)-1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethenyl] diethyl phosphate?
[(Z)-1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethenyl] diethyl phosphate has a molecular weight of 332.38 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethenyl] diethyl phosphate is sourced from PubChem (CID 135068360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).