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

C14H27O4P — CID 10913271

IUPAC[(E,1R)-1-cyclohexylbut-2-enyl] diethyl phosphate
SMILESC/C=C/[C@H](OP(=O)(OCC)OCC)C1CCCCC1
InChIInChI=1S/C14H27O4P/c1-4-10-14(13-11-8-7-9-12-13)18-19(15,16-5-2)17-6-3/h4,10,13-14H,5-9,11-12H2,1-3H3/b10-4+/t14-/m0/s1
InChIKeyDYRVXKGAGKSGII-DEYRLNKFSA-N
MW290.34 g/mol
LogP4.71
Rot. Bonds8

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

[(E,1R)-1-cyclohexylbut-2-enyl] diethyl phosphate (PubChem CID 10913271) has the molecular formula C14H27O4P and a molecular weight of 290.34 g/mol. Its IUPAC name is [(E,1R)-1-cyclohexylbut-2-enyl] diethyl phosphate.

Molecular Properties

Compound Name[(E,1R)-1-cyclohexylbut-2-enyl] diethyl phosphate
PubChem CID10913271
Molecular FormulaC14H27O4P
Molecular Weight290.34 g/mol
Exact Mass290.16
IUPAC Name[(E,1R)-1-cyclohexylbut-2-enyl] diethyl phosphate
SMILESC/C=C/[C@H](OP(=O)(OCC)OCC)C1CCCCC1
InChIInChI=1S/C14H27O4P/c1-4-10-14(13-11-8-7-9-12-13)18-19(15,16-5-2)17-6-3/h4,10,13-14H,5-9,11-12H2,1-3H3/b10-4+/t14-/m0/s1
InChIKeyDYRVXKGAGKSGII-DEYRLNKFSA-N
XLogP4.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 54.71
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
Bicyclo[3.2.1]oct-3-en-2-yl diethyl phosphate
CID 371768
[(E,1R)-1-cyclohexylhept-2-enyl] diethyl phosphate
CID 11056673
[(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
1-Cyclohexylprop-2-enyl diethyl phosphate
CID 15098982
[(Z)-3-cyclohexylprop-2-enyl] diethyl phosphate
CID 102246290
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

Frequently Asked Questions

What is the IUPAC name of [(E,1R)-1-cyclohexylbut-2-enyl] diethyl phosphate?
The IUPAC name of [(E,1R)-1-cyclohexylbut-2-enyl] diethyl phosphate (CID 10913271) is [(E,1R)-1-cyclohexylbut-2-enyl] diethyl phosphate.
What is the SMILES notation for [(E,1R)-1-cyclohexylbut-2-enyl] diethyl phosphate?
The canonical SMILES for [(E,1R)-1-cyclohexylbut-2-enyl] diethyl phosphate is C/C=C/[C@H](OP(=O)(OCC)OCC)C1CCCCC1.
What is the InChIKey of [(E,1R)-1-cyclohexylbut-2-enyl] diethyl phosphate?
The InChIKey is DYRVXKGAGKSGII-DEYRLNKFSA-N. The full InChI is InChI=1S/C14H27O4P/c1-4-10-14(13-11-8-7-9-12-13)18-19(15,16-5-2)17-6-3/h4,10,13-14H,5-9,11-12H2,1-3H3/b10-4+/t14-/m0/s1.
What are the key properties of [(E,1R)-1-cyclohexylbut-2-enyl] diethyl phosphate?
[(E,1R)-1-cyclohexylbut-2-enyl] diethyl phosphate has a molecular weight of 290.34 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,1R)-1-cyclohexylbut-2-enyl] diethyl phosphate is sourced from PubChem (CID 10913271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).