[(E)-3-cyclohexylprop-2-enyl] dipropan-2-yl phosphate

C15H29O4P — CID 135073010

IUPAC[(E)-3-cyclohexylprop-2-enyl] dipropan-2-yl phosphate
SMILESCC(C)OP(=O)(OC/C=C/C1CCCCC1)OC(C)C
InChIInChI=1S/C15H29O4P/c1-13(2)18-20(16,19-14(3)4)17-12-8-11-15-9-6-5-7-10-15/h8,11,13-15H,5-7,9-10,12H2,1-4H3/b11-8+
InChIKeyIZVAYGRMTBEYDM-DHZHZOJOSA-N
MW304.37 g/mol
LogP5.10
Rot. Bonds8

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

[(E)-3-cyclohexylprop-2-enyl] dipropan-2-yl phosphate (PubChem CID 135073010) has the molecular formula C15H29O4P and a molecular weight of 304.37 g/mol. Its IUPAC name is [(E)-3-cyclohexylprop-2-enyl] dipropan-2-yl phosphate.

Molecular Properties

Compound Name[(E)-3-cyclohexylprop-2-enyl] dipropan-2-yl phosphate
PubChem CID135073010
Molecular FormulaC15H29O4P
Molecular Weight304.37 g/mol
Exact Mass304.18
IUPAC Name[(E)-3-cyclohexylprop-2-enyl] dipropan-2-yl phosphate
SMILESCC(C)OP(=O)(OC/C=C/C1CCCCC1)OC(C)C
InChIInChI=1S/C15H29O4P/c1-13(2)18-20(16,19-14(3)4)17-12-8-11-15-9-6-5-7-10-15/h8,11,13-15H,5-7,9-10,12H2,1-4H3/b11-8+
InChIKeyIZVAYGRMTBEYDM-DHZHZOJOSA-N
XLogP5.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.37
LogP ≤ 55.10
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
diethyl [(1R,2S)-2-ethylcyclohex-3-en-1-yl] phosphate
CID 101227861
[(E,1R)-1-cyclohexylbut-2-enyl] diethyl phosphate
CID 10913271
diethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate
CID 10988693
[(E,1R)-1-cyclohexylhept-2-enyl] diethyl phosphate
CID 11056673
diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate
CID 11097868
[(E)-3-cyclohexylbut-2-enyl] diethyl phosphate
CID 11403548
[(E)-3-cyclohexylprop-2-enyl] diethyl phosphate
CID 11460071
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

Frequently Asked Questions

What is the IUPAC name of [(E)-3-cyclohexylprop-2-enyl] dipropan-2-yl phosphate?
The IUPAC name of [(E)-3-cyclohexylprop-2-enyl] dipropan-2-yl phosphate (CID 135073010) is [(E)-3-cyclohexylprop-2-enyl] dipropan-2-yl phosphate.
What is the SMILES notation for [(E)-3-cyclohexylprop-2-enyl] dipropan-2-yl phosphate?
The canonical SMILES for [(E)-3-cyclohexylprop-2-enyl] dipropan-2-yl phosphate is CC(C)OP(=O)(OC/C=C/C1CCCCC1)OC(C)C.
What is the InChIKey of [(E)-3-cyclohexylprop-2-enyl] dipropan-2-yl phosphate?
The InChIKey is IZVAYGRMTBEYDM-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H29O4P/c1-13(2)18-20(16,19-14(3)4)17-12-8-11-15-9-6-5-7-10-15/h8,11,13-15H,5-7,9-10,12H2,1-4H3/b11-8+.
What are the key properties of [(E)-3-cyclohexylprop-2-enyl] dipropan-2-yl phosphate?
[(E)-3-cyclohexylprop-2-enyl] dipropan-2-yl phosphate has a molecular weight of 304.37 g/mol, XLogP of 5.10, 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] dipropan-2-yl phosphate is sourced from PubChem (CID 135073010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).