(E)-5-diethoxyphosphorylpent-4-enal

C9H17O4P — CID 58918268

IUPAC(E)-5-diethoxyphosphorylpent-4-enal
SMILESCCOP(=O)(/C=C/CCC=O)OCC
InChIInChI=1S/C9H17O4P/c1-3-12-14(11,13-4-2)9-7-5-6-8-10/h7-9H,3-6H2,1-2H3/b9-7+
InChIKeyNZLGLHMPBMMRSZ-VQHVLOKHSA-N
MW220.20 g/mol
LogP2.75
Rot. Bonds8

About (E)-5-diethoxyphosphorylpent-4-enal

(E)-5-diethoxyphosphorylpent-4-enal (PubChem CID 58918268) has the molecular formula C9H17O4P and a molecular weight of 220.20 g/mol. Its IUPAC name is (E)-5-diethoxyphosphorylpent-4-enal.

Molecular Properties

Compound Name(E)-5-diethoxyphosphorylpent-4-enal
PubChem CID58918268
Molecular FormulaC9H17O4P
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name(E)-5-diethoxyphosphorylpent-4-enal
SMILESCCOP(=O)(/C=C/CCC=O)OCC
InChIInChI=1S/C9H17O4P/c1-3-12-14(11,13-4-2)9-7-5-6-8-10/h7-9H,3-6H2,1-2H3/b9-7+
InChIKeyNZLGLHMPBMMRSZ-VQHVLOKHSA-N
XLogP2.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-diethoxyphosphorylpent-4-enal?
The IUPAC name of (E)-5-diethoxyphosphorylpent-4-enal (CID 58918268) is (E)-5-diethoxyphosphorylpent-4-enal.
What is the SMILES notation for (E)-5-diethoxyphosphorylpent-4-enal?
The canonical SMILES for (E)-5-diethoxyphosphorylpent-4-enal is CCOP(=O)(/C=C/CCC=O)OCC.
What is the InChIKey of (E)-5-diethoxyphosphorylpent-4-enal?
The InChIKey is NZLGLHMPBMMRSZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H17O4P/c1-3-12-14(11,13-4-2)9-7-5-6-8-10/h7-9H,3-6H2,1-2H3/b9-7+.
What are the key properties of (E)-5-diethoxyphosphorylpent-4-enal?
(E)-5-diethoxyphosphorylpent-4-enal has a molecular weight of 220.20 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-diethoxyphosphorylpent-4-enal is sourced from PubChem (CID 58918268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).