(E)-1-diethoxyphosphoryl-3-methylbut-1-ene

C9H19O3P — CID 11830581

IUPAC(E)-1-diethoxyphosphoryl-3-methylbut-1-ene
SMILESCCOP(=O)(/C=C/C(C)C)OCC
InChIInChI=1S/C9H19O3P/c1-5-11-13(10,12-6-2)8-7-9(3)4/h7-9H,5-6H2,1-4H3/b8-7+
InChIKeyWGXWDHJJQNBTTJ-BQYQJAHWSA-N
MW206.22 g/mol
LogP3.42
Rot. Bonds6

About (E)-1-diethoxyphosphoryl-3-methylbut-1-ene

(E)-1-diethoxyphosphoryl-3-methylbut-1-ene (PubChem CID 11830581) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-3-methylbut-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-3-methylbut-1-ene
PubChem CID11830581
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Name(E)-1-diethoxyphosphoryl-3-methylbut-1-ene
SMILESCCOP(=O)(/C=C/C(C)C)OCC
InChIInChI=1S/C9H19O3P/c1-5-11-13(10,12-6-2)8-7-9(3)4/h7-9H,5-6H2,1-4H3/b8-7+
InChIKeyWGXWDHJJQNBTTJ-BQYQJAHWSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-3-methylbut-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-3-methylbut-1-ene (CID 11830581) is (E)-1-diethoxyphosphoryl-3-methylbut-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-3-methylbut-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-3-methylbut-1-ene is CCOP(=O)(/C=C/C(C)C)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-3-methylbut-1-ene?
The InChIKey is WGXWDHJJQNBTTJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H19O3P/c1-5-11-13(10,12-6-2)8-7-9(3)4/h7-9H,5-6H2,1-4H3/b8-7+.
What are the key properties of (E)-1-diethoxyphosphoryl-3-methylbut-1-ene?
(E)-1-diethoxyphosphoryl-3-methylbut-1-ene has a molecular weight of 206.22 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-3-methylbut-1-ene is sourced from PubChem (CID 11830581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).