[(1E)-buta-1,3-dienyl] diethyl phosphate

C8H15O4P — CID 24939105

IUPAC[(1E)-buta-1,3-dienyl] diethyl phosphate
SMILESC=C/C=C/OP(=O)(OCC)OCC
InChIInChI=1S/C8H15O4P/c1-4-7-8-12-13(9,10-5-2)11-6-3/h4,7-8H,1,5-6H2,2-3H3/b8-7+
InChIKeyUWROGEQVMVMKCI-BQYQJAHWSA-N
MW206.18 g/mol
LogP2.88
Rot. Bonds7

About [(1E)-buta-1,3-dienyl] diethyl phosphate

[(1E)-buta-1,3-dienyl] diethyl phosphate (PubChem CID 24939105) has the molecular formula C8H15O4P and a molecular weight of 206.18 g/mol. Its IUPAC name is [(1E)-buta-1,3-dienyl] diethyl phosphate.

Molecular Properties

Compound Name[(1E)-buta-1,3-dienyl] diethyl phosphate
PubChem CID24939105
Molecular FormulaC8H15O4P
Molecular Weight206.18 g/mol
Exact Mass206.07
IUPAC Name[(1E)-buta-1,3-dienyl] diethyl phosphate
SMILESC=C/C=C/OP(=O)(OCC)OCC
InChIInChI=1S/C8H15O4P/c1-4-7-8-12-13(9,10-5-2)11-6-3/h4,7-8H,1,5-6H2,2-3H3/b8-7+
InChIKeyUWROGEQVMVMKCI-BQYQJAHWSA-N
XLogP2.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 52.88
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Triallyl phosphate
CID 15390
Diethyl 2-propen-1-yl phosphate
CID 229774
Phosphoric acid, dimethyl 2-propenyl ester
CID 573628
Phosphoric acid, dimethyl 1-propenyl ester
CID 5370203
Diethyl buta-1,3-dien-2-ylphosphonate
CID 12482372
(1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene
CID 135080814
(1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene
CID 135080968
diethyl [(3E)-4-methoxybuta-1,3-dien-2-yl] phosphate
CID 11615604
[Ethoxy(prop-2-enoxy)phosphoryl] ethyl prop-2-enyl phosphate
CID 14086645
[Prop-2-enoxy(propoxy)phosphoryl] prop-2-enyl propyl phosphate
CID 14086646
Diethoxyphosphoryl ethyl prop-2-enyl phosphate
CID 14086656
Dipropoxyphosphoryl prop-2-enyl propyl phosphate
CID 14086657

Frequently Asked Questions

What is the IUPAC name of [(1E)-buta-1,3-dienyl] diethyl phosphate?
The IUPAC name of [(1E)-buta-1,3-dienyl] diethyl phosphate (CID 24939105) is [(1E)-buta-1,3-dienyl] diethyl phosphate.
What is the SMILES notation for [(1E)-buta-1,3-dienyl] diethyl phosphate?
The canonical SMILES for [(1E)-buta-1,3-dienyl] diethyl phosphate is C=C/C=C/OP(=O)(OCC)OCC.
What is the InChIKey of [(1E)-buta-1,3-dienyl] diethyl phosphate?
The InChIKey is UWROGEQVMVMKCI-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H15O4P/c1-4-7-8-12-13(9,10-5-2)11-6-3/h4,7-8H,1,5-6H2,2-3H3/b8-7+.
What are the key properties of [(1E)-buta-1,3-dienyl] diethyl phosphate?
[(1E)-buta-1,3-dienyl] diethyl phosphate has a molecular weight of 206.18 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-buta-1,3-dienyl] diethyl phosphate is sourced from PubChem (CID 24939105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).