2-diphenylphosphanylpentanedial

C17H17O2P — CID 175284088

IUPAC2-diphenylphosphanylpentanedial
SMILESO=CCCC(C=O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17O2P/c18-13-7-12-17(14-19)20(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,13-14,17H,7,12H2
InChIKeyWDJSMNLMPZRNMF-UHFFFAOYSA-N
MW284.30 g/mol
LogP2.67
Rot. Bonds7

About 2-diphenylphosphanylpentanedial

2-diphenylphosphanylpentanedial (PubChem CID 175284088) has the molecular formula C17H17O2P and a molecular weight of 284.30 g/mol. Its IUPAC name is 2-diphenylphosphanylpentanedial.

Molecular Properties

Compound Name2-diphenylphosphanylpentanedial
PubChem CID175284088
Molecular FormulaC17H17O2P
Molecular Weight284.30 g/mol
Exact Mass284.10
IUPAC Name2-diphenylphosphanylpentanedial
SMILESO=CCCC(C=O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17O2P/c18-13-7-12-17(14-19)20(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,13-14,17H,7,12H2
InChIKeyWDJSMNLMPZRNMF-UHFFFAOYSA-N
XLogP2.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-diphenylphosphanylpentanedial?
The IUPAC name of 2-diphenylphosphanylpentanedial (CID 175284088) is 2-diphenylphosphanylpentanedial.
What is the SMILES notation for 2-diphenylphosphanylpentanedial?
The canonical SMILES for 2-diphenylphosphanylpentanedial is O=CCCC(C=O)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanylpentanedial?
The InChIKey is WDJSMNLMPZRNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17O2P/c18-13-7-12-17(14-19)20(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,13-14,17H,7,12H2.
What are the key properties of 2-diphenylphosphanylpentanedial?
2-diphenylphosphanylpentanedial has a molecular weight of 284.30 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanylpentanedial is sourced from PubChem (CID 175284088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).