diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate

C13H27O4P — CID 11097868

IUPACdiethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate
SMILESC/C=C/[C@H](OP(=O)(OCC)OCC)C(CC)CC
InChIInChI=1S/C13H27O4P/c1-6-11-13(12(7-2)8-3)17-18(14,15-9-4)16-10-5/h6,11-13H,7-10H2,1-5H3/b11-6+/t13-/m0/s1
InChIKeyLMMUEBPDPMTLHA-VKUYVZBCSA-N
MW278.33 g/mol
LogP4.57
Rot. Bonds10

About diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate

diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate (PubChem CID 11097868) has the molecular formula C13H27O4P and a molecular weight of 278.33 g/mol. Its IUPAC name is diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate.

Molecular Properties

Compound Namediethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate
PubChem CID11097868
Molecular FormulaC13H27O4P
Molecular Weight278.33 g/mol
Exact Mass278.16
IUPAC Namediethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate
SMILESC/C=C/[C@H](OP(=O)(OCC)OCC)C(CC)CC
InChIInChI=1S/C13H27O4P/c1-6-11-13(12(7-2)8-3)17-18(14,15-9-4)16-10-5/h6,11-13H,7-10H2,1-5H3/b11-6+/t13-/m0/s1
InChIKeyLMMUEBPDPMTLHA-VKUYVZBCSA-N
XLogP4.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 54.57
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

Cyclohex-2-en-1-yl diethyl phosphate
CID 10421524
diethyl [(1R,2R)-2-ethylcyclopent-3-en-1-yl] phosphate
CID 11288104
diethyl [(1R,2R)-2-ethylcyclohex-3-en-1-yl] phosphate
CID 11414336
diethyl [(1R,2S)-2-ethylcyclohex-3-en-1-yl] phosphate
CID 101227861
diethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate
CID 10988693
diethyl [(E,4R)-oct-2-en-4-yl] phosphate
CID 11032737
diethyl [(1S,2S)-2-ethylcyclopent-3-en-1-yl] phosphate
CID 11288103
diethyl [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] phosphate
CID 14415571
diethyl [(Z,2S)-oct-3-en-2-yl] phosphate
CID 46850470
[(1S)-cyclohex-2-en-1-yl] diethyl phosphate
CID 132515185
[(1R,5R)-1-deuterio-5-methylcyclohex-2-en-1-yl] diethyl phosphate
CID 134842119
diethyl [(1R,2R)-2-prop-2-enylcyclopent-3-en-1-yl] phosphate
CID 134852509

Frequently Asked Questions

What is the IUPAC name of diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate?
The IUPAC name of diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate (CID 11097868) is diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate.
What is the SMILES notation for diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate?
The canonical SMILES for diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate is C/C=C/[C@H](OP(=O)(OCC)OCC)C(CC)CC.
What is the InChIKey of diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate?
The InChIKey is LMMUEBPDPMTLHA-VKUYVZBCSA-N. The full InChI is InChI=1S/C13H27O4P/c1-6-11-13(12(7-2)8-3)17-18(14,15-9-4)16-10-5/h6,11-13H,7-10H2,1-5H3/b11-6+/t13-/m0/s1.
What are the key properties of diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate?
diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate has a molecular weight of 278.33 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate is sourced from PubChem (CID 11097868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).