(E)-5-diethoxyphosphoryl-2-methylpent-4-enal

C10H19O4P — CID 58732512

IUPAC(E)-5-diethoxyphosphoryl-2-methylpent-4-enal
SMILESCCOP(=O)(/C=C/CC(C)C=O)OCC
InChIInChI=1S/C10H19O4P/c1-4-13-15(12,14-5-2)8-6-7-10(3)9-11/h6,8-10H,4-5,7H2,1-3H3/b8-6+
InChIKeyKRZLOGUCHDKGMG-SOFGYWHQSA-N
MW234.23 g/mol
LogP2.99
Rot. Bonds8

About (E)-5-diethoxyphosphoryl-2-methylpent-4-enal

(E)-5-diethoxyphosphoryl-2-methylpent-4-enal (PubChem CID 58732512) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is (E)-5-diethoxyphosphoryl-2-methylpent-4-enal.

Molecular Properties

Compound Name(E)-5-diethoxyphosphoryl-2-methylpent-4-enal
PubChem CID58732512
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name(E)-5-diethoxyphosphoryl-2-methylpent-4-enal
SMILESCCOP(=O)(/C=C/CC(C)C=O)OCC
InChIInChI=1S/C10H19O4P/c1-4-13-15(12,14-5-2)8-6-7-10(3)9-11/h6,8-10H,4-5,7H2,1-3H3/b8-6+
InChIKeyKRZLOGUCHDKGMG-SOFGYWHQSA-N
XLogP2.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-diethoxyphosphoryl-2-methylpent-4-enal?
The IUPAC name of (E)-5-diethoxyphosphoryl-2-methylpent-4-enal (CID 58732512) is (E)-5-diethoxyphosphoryl-2-methylpent-4-enal.
What is the SMILES notation for (E)-5-diethoxyphosphoryl-2-methylpent-4-enal?
The canonical SMILES for (E)-5-diethoxyphosphoryl-2-methylpent-4-enal is CCOP(=O)(/C=C/CC(C)C=O)OCC.
What is the InChIKey of (E)-5-diethoxyphosphoryl-2-methylpent-4-enal?
The InChIKey is KRZLOGUCHDKGMG-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H19O4P/c1-4-13-15(12,14-5-2)8-6-7-10(3)9-11/h6,8-10H,4-5,7H2,1-3H3/b8-6+.
What are the key properties of (E)-5-diethoxyphosphoryl-2-methylpent-4-enal?
(E)-5-diethoxyphosphoryl-2-methylpent-4-enal has a molecular weight of 234.23 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-diethoxyphosphoryl-2-methylpent-4-enal is sourced from PubChem (CID 58732512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).