[(E,1R)-1-cyclohexylhept-2-enyl] diethyl phosphate

C17H33O4P — CID 11056673

IUPAC[(E,1R)-1-cyclohexylhept-2-enyl] diethyl phosphate
SMILESCCCC/C=C/[C@H](OP(=O)(OCC)OCC)C1CCCCC1
InChIInChI=1S/C17H33O4P/c1-4-7-8-12-15-17(16-13-10-9-11-14-16)21-22(18,19-5-2)20-6-3/h12,15-17H,4-11,13-14H2,1-3H3/b15-12+/t17-/m0/s1
InChIKeyFIWKNXOVYXMHHN-VMEIHUARSA-N
MW332.42 g/mol
LogP5.88
Rot. Bonds11

About [(E,1R)-1-cyclohexylhept-2-enyl] diethyl phosphate

[(E,1R)-1-cyclohexylhept-2-enyl] diethyl phosphate (PubChem CID 11056673) has the molecular formula C17H33O4P and a molecular weight of 332.42 g/mol. Its IUPAC name is [(E,1R)-1-cyclohexylhept-2-enyl] diethyl phosphate.

Molecular Properties

Compound Name[(E,1R)-1-cyclohexylhept-2-enyl] diethyl phosphate
PubChem CID11056673
Molecular FormulaC17H33O4P
Molecular Weight332.42 g/mol
Exact Mass332.21
IUPAC Name[(E,1R)-1-cyclohexylhept-2-enyl] diethyl phosphate
SMILESCCCC/C=C/[C@H](OP(=O)(OCC)OCC)C1CCCCC1
InChIInChI=1S/C17H33O4P/c1-4-7-8-12-15-17(16-13-10-9-11-14-16)21-22(18,19-5-2)20-6-3/h12,15-17H,4-11,13-14H2,1-3H3/b15-12+/t17-/m0/s1
InChIKeyFIWKNXOVYXMHHN-VMEIHUARSA-N
XLogP5.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.42
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(E,1R)-1-cyclohexylbut-2-enyl] diethyl phosphate
CID 10913271
diethyl [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] phosphate
CID 14415571
1-Cyclohexylprop-2-enyl diethyl phosphate
CID 15098982
Phosphono 2,6,11,15-tetramethylhexadeca-2,6-dien-8-yl hydrogen phosphate
CID 123694611
[(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
[(3R,5S)-5,9-dimethyldeca-1,8-dien-3-yl] diethyl phosphate
CID 134939360
diethyl [(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] phosphate
CID 135050523
[(E)-3-cyclohexylprop-2-enyl] dipropan-2-yl phosphate
CID 135073010
[(1R,5R)-1-deuterio-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] diethyl phosphate
CID 139263397
[(9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienyl] dihydrogen phosphate
CID 59492257
2-Ethyloctadeca-9,12,15-trienyl dihydrogen phosphate
CID 72306473

Frequently Asked Questions

What is the IUPAC name of [(E,1R)-1-cyclohexylhept-2-enyl] diethyl phosphate?
The IUPAC name of [(E,1R)-1-cyclohexylhept-2-enyl] diethyl phosphate (CID 11056673) is [(E,1R)-1-cyclohexylhept-2-enyl] diethyl phosphate.
What is the SMILES notation for [(E,1R)-1-cyclohexylhept-2-enyl] diethyl phosphate?
The canonical SMILES for [(E,1R)-1-cyclohexylhept-2-enyl] diethyl phosphate is CCCC/C=C/[C@H](OP(=O)(OCC)OCC)C1CCCCC1.
What is the InChIKey of [(E,1R)-1-cyclohexylhept-2-enyl] diethyl phosphate?
The InChIKey is FIWKNXOVYXMHHN-VMEIHUARSA-N. The full InChI is InChI=1S/C17H33O4P/c1-4-7-8-12-15-17(16-13-10-9-11-14-16)21-22(18,19-5-2)20-6-3/h12,15-17H,4-11,13-14H2,1-3H3/b15-12+/t17-/m0/s1.
What are the key properties of [(E,1R)-1-cyclohexylhept-2-enyl] diethyl phosphate?
[(E,1R)-1-cyclohexylhept-2-enyl] diethyl phosphate has a molecular weight of 332.42 g/mol, XLogP of 5.88, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,1R)-1-cyclohexylhept-2-enyl] diethyl phosphate is sourced from PubChem (CID 11056673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).