2-diethoxyphosphorylpentanal

C9H19O4P — CID 4642092

IUPAC2-diethoxyphosphorylpentanal
SMILESCCCC(C=O)P(=O)(OCC)OCC
InChIInChI=1S/C9H19O4P/c1-4-7-9(8-10)14(11,12-5-2)13-6-3/h8-9H,4-7H2,1-3H3
InChIKeyGNADZBBZHMTITK-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.62
Rot. Bonds8

About 2-diethoxyphosphorylpentanal

2-diethoxyphosphorylpentanal (PubChem CID 4642092) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-diethoxyphosphorylpentanal.

Molecular Properties

Compound Name2-diethoxyphosphorylpentanal
PubChem CID4642092
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Name2-diethoxyphosphorylpentanal
SMILESCCCC(C=O)P(=O)(OCC)OCC
InChIInChI=1S/C9H19O4P/c1-4-7-9(8-10)14(11,12-5-2)13-6-3/h8-9H,4-7H2,1-3H3
InChIKeyGNADZBBZHMTITK-UHFFFAOYSA-N
XLogP2.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.62
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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Related Compounds

3-(Diethoxyphosphinyl)propanal
CID 11816380
Oxopropylphosphonic acid dimethyl ester
CID 11147922
Diethyl (1-oxobutan-2-yl)phosphonate
CID 4885879
3-Diethoxyphosphorylpentan-2-one
CID 10900195
Phosphonic acid, (2-oxohexyl)-, diethyl ester
CID 10977428
5,5-Bis(diethoxyphosphoryl)pentanal
CID 12102994
1-Diethoxyphosphorylpentan-1-one
CID 12617036
Diethyl 1-methyl-3-oxopropylphosphonate
CID 12682411
1-Di(propan-2-yloxy)phosphorylpentan-1-one
CID 15685104
5-Diethoxyphosphorylpentan-2-one
CID 10966079
6-Diethoxyphosphorylhexan-2-one
CID 12547311
2-Diethoxyphosphoryl-propionaldehyde
CID 13143164

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylpentanal?
The IUPAC name of 2-diethoxyphosphorylpentanal (CID 4642092) is 2-diethoxyphosphorylpentanal.
What is the SMILES notation for 2-diethoxyphosphorylpentanal?
The canonical SMILES for 2-diethoxyphosphorylpentanal is CCCC(C=O)P(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphorylpentanal?
The InChIKey is GNADZBBZHMTITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O4P/c1-4-7-9(8-10)14(11,12-5-2)13-6-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-diethoxyphosphorylpentanal?
2-diethoxyphosphorylpentanal has a molecular weight of 222.22 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylpentanal is sourced from PubChem (CID 4642092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).