diethyl 4-methylpent-1-enyl phosphate

C10H21O4P — CID 134945786

IUPACdiethyl 4-methylpent-1-enyl phosphate
SMILESCCOP(=O)(OC=CCC(C)C)OCC
InChIInChI=1S/C10H21O4P/c1-5-12-15(11,13-6-2)14-9-7-8-10(3)4/h7,9-10H,5-6,8H2,1-4H3
InChIKeyQKKYSHKBATZUJI-UHFFFAOYSA-N
MW236.25 g/mol
LogP3.74
Rot. Bonds8

About diethyl 4-methylpent-1-enyl phosphate

diethyl 4-methylpent-1-enyl phosphate (PubChem CID 134945786) has the molecular formula C10H21O4P and a molecular weight of 236.25 g/mol. Its IUPAC name is diethyl 4-methylpent-1-enyl phosphate.

Molecular Properties

Compound Namediethyl 4-methylpent-1-enyl phosphate
PubChem CID134945786
Molecular FormulaC10H21O4P
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Namediethyl 4-methylpent-1-enyl phosphate
SMILESCCOP(=O)(OC=CCC(C)C)OCC
InChIInChI=1S/C10H21O4P/c1-5-12-15(11,13-6-2)14-9-7-8-10(3)4/h7,9-10H,5-6,8H2,1-4H3
InChIKeyQKKYSHKBATZUJI-UHFFFAOYSA-N
XLogP3.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-1-diethoxyphosphoryl-4-methylpent-1-ene
CID 13291223
Diisobutyl hexenyl phosphonate
CID 129760246
Diethyl pent-1-enyl phosphate
CID 134856171
(2S)-1-diethoxyphosphoryl-2-methylpent-4-en-1-one
CID 134920505
bis[(E)-hept-1-enyl] hydrogen phosphate
CID 19800812
[(1E)-3,7-dimethylocta-1,7-dienyl] diethyl phosphate
CID 19862294
[(1E)-3,7-dimethylocta-1,6-dienyl] diethyl phosphate
CID 19862298
2-Ethenylpent-4-enoxy-oxo-propylperoxyphosphanium
CID 20718591
3,7-Dimethylocta-1,7-dienyl diethyl phosphate
CID 53965863
Tris(but-1-enyl) phosphate
CID 54213486
3,7-Dimethylocta-1,6-dienyl diethyl phosphate
CID 54425473
Bis(hept-1-enyl) hydrogen phosphate
CID 54526218

Frequently Asked Questions

What is the IUPAC name of diethyl 4-methylpent-1-enyl phosphate?
The IUPAC name of diethyl 4-methylpent-1-enyl phosphate (CID 134945786) is diethyl 4-methylpent-1-enyl phosphate.
What is the SMILES notation for diethyl 4-methylpent-1-enyl phosphate?
The canonical SMILES for diethyl 4-methylpent-1-enyl phosphate is CCOP(=O)(OC=CCC(C)C)OCC.
What is the InChIKey of diethyl 4-methylpent-1-enyl phosphate?
The InChIKey is QKKYSHKBATZUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O4P/c1-5-12-15(11,13-6-2)14-9-7-8-10(3)4/h7,9-10H,5-6,8H2,1-4H3.
What are the key properties of diethyl 4-methylpent-1-enyl phosphate?
diethyl 4-methylpent-1-enyl phosphate has a molecular weight of 236.25 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-methylpent-1-enyl phosphate is sourced from PubChem (CID 134945786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).