[(E)-3-cyclohexylprop-2-enyl] diethyl phosphate

C13H25O4P — CID 11460071

IUPAC[(E)-3-cyclohexylprop-2-enyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OC/C=C/C1CCCCC1
InChIInChI=1S/C13H25O4P/c1-3-15-18(14,16-4-2)17-12-8-11-13-9-6-5-7-10-13/h8,11,13H,3-7,9-10,12H2,1-2H3/b11-8+
InChIKeyMSGLOFJPYHJVDK-DHZHZOJOSA-N
MW276.31 g/mol
LogP4.32
Rot. Bonds8

About [(E)-3-cyclohexylprop-2-enyl] diethyl phosphate

[(E)-3-cyclohexylprop-2-enyl] diethyl phosphate (PubChem CID 11460071) has the molecular formula C13H25O4P and a molecular weight of 276.31 g/mol. Its IUPAC name is [(E)-3-cyclohexylprop-2-enyl] diethyl phosphate.

Molecular Properties

Compound Name[(E)-3-cyclohexylprop-2-enyl] diethyl phosphate
PubChem CID11460071
Molecular FormulaC13H25O4P
Molecular Weight276.31 g/mol
Exact Mass276.15
IUPAC Name[(E)-3-cyclohexylprop-2-enyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OC/C=C/C1CCCCC1
InChIInChI=1S/C13H25O4P/c1-3-15-18(14,16-4-2)17-12-8-11-13-9-6-5-7-10-13/h8,11,13H,3-7,9-10,12H2,1-2H3/b11-8+
InChIKeyMSGLOFJPYHJVDK-DHZHZOJOSA-N
XLogP4.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
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 [(1R,2R)-2-ethylcyclohex-3-en-1-yl] phosphate
CID 11414336
5,5-Bis(diethoxyphosphoryl)bicyclo[2.2.2]oct-2-ene
CID 12142924
diethyl [(1R,2S)-2-ethylcyclohex-3-en-1-yl] phosphate
CID 101227861
[(E,1R)-1-cyclohexylbut-2-enyl] diethyl phosphate
CID 10913271
[(E)-3-cyclohexylbut-2-enyl] diethyl phosphate
CID 11403548
diethyl [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] phosphate
CID 14415571
[(Z)-3-cyclohexylprop-2-enyl] diethyl phosphate
CID 102246290
[(1R,5R)-1-deuterio-5-methylcyclohex-2-en-1-yl] diethyl phosphate
CID 134842119
diethyl [(1S,5R)-5-methylcyclohex-2-en-1-yl] phosphate
CID 134860073
diethyl [(1R,2R)-2-prop-2-enylcyclohex-3-en-1-yl] phosphate
CID 134863849
diethyl [(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl phosphate
CID 134889250
diethyl [(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] phosphate
CID 135050523

Frequently Asked Questions

What is the IUPAC name of [(E)-3-cyclohexylprop-2-enyl] diethyl phosphate?
The IUPAC name of [(E)-3-cyclohexylprop-2-enyl] diethyl phosphate (CID 11460071) is [(E)-3-cyclohexylprop-2-enyl] diethyl phosphate.
What is the SMILES notation for [(E)-3-cyclohexylprop-2-enyl] diethyl phosphate?
The canonical SMILES for [(E)-3-cyclohexylprop-2-enyl] diethyl phosphate is CCOP(=O)(OCC)OC/C=C/C1CCCCC1.
What is the InChIKey of [(E)-3-cyclohexylprop-2-enyl] diethyl phosphate?
The InChIKey is MSGLOFJPYHJVDK-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H25O4P/c1-3-15-18(14,16-4-2)17-12-8-11-13-9-6-5-7-10-13/h8,11,13H,3-7,9-10,12H2,1-2H3/b11-8+.
What are the key properties of [(E)-3-cyclohexylprop-2-enyl] diethyl phosphate?
[(E)-3-cyclohexylprop-2-enyl] diethyl phosphate has a molecular weight of 276.31 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-cyclohexylprop-2-enyl] diethyl phosphate is sourced from PubChem (CID 11460071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).