(E)-1-diethoxyphosphoryl-2,3,3-trimethylbut-1-ene

C11H23O3P — CID 10847290

IUPAC(E)-1-diethoxyphosphoryl-2,3,3-trimethylbut-1-ene
SMILESCCOP(=O)(/C=C(\C)C(C)(C)C)OCC
InChIInChI=1S/C11H23O3P/c1-7-13-15(12,14-8-2)9-10(3)11(4,5)6/h9H,7-8H2,1-6H3/b10-9+
InChIKeyKKTLUHZHPJOIQG-MDZDMXLPSA-N
MW234.28 g/mol
LogP4.20
Rot. Bonds5

About (E)-1-diethoxyphosphoryl-2,3,3-trimethylbut-1-ene

(E)-1-diethoxyphosphoryl-2,3,3-trimethylbut-1-ene (PubChem CID 10847290) has the molecular formula C11H23O3P and a molecular weight of 234.28 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-2,3,3-trimethylbut-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-2,3,3-trimethylbut-1-ene
PubChem CID10847290
Molecular FormulaC11H23O3P
Molecular Weight234.28 g/mol
Exact Mass234.14
IUPAC Name(E)-1-diethoxyphosphoryl-2,3,3-trimethylbut-1-ene
SMILESCCOP(=O)(/C=C(\C)C(C)(C)C)OCC
InChIInChI=1S/C11H23O3P/c1-7-13-15(12,14-8-2)9-10(3)11(4,5)6/h9H,7-8H2,1-6H3/b10-9+
InChIKeyKKTLUHZHPJOIQG-MDZDMXLPSA-N
XLogP4.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 54.20
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-2,3,3-trimethylbut-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-2,3,3-trimethylbut-1-ene (CID 10847290) is (E)-1-diethoxyphosphoryl-2,3,3-trimethylbut-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-2,3,3-trimethylbut-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-2,3,3-trimethylbut-1-ene is CCOP(=O)(/C=C(\C)C(C)(C)C)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-2,3,3-trimethylbut-1-ene?
The InChIKey is KKTLUHZHPJOIQG-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H23O3P/c1-7-13-15(12,14-8-2)9-10(3)11(4,5)6/h9H,7-8H2,1-6H3/b10-9+.
What are the key properties of (E)-1-diethoxyphosphoryl-2,3,3-trimethylbut-1-ene?
(E)-1-diethoxyphosphoryl-2,3,3-trimethylbut-1-ene has a molecular weight of 234.28 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-2,3,3-trimethylbut-1-ene is sourced from PubChem (CID 10847290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).