3-[bis(3-oxopropyl)phosphanyl]propanal

C9H15O3P — CID 141170321

IUPAC3-[bis(3-oxopropyl)phosphanyl]propanal
SMILESO=CCCP(CCC=O)CCC=O
InChIInChI=1S/C9H15O3P/c10-4-1-7-13(8-2-5-11)9-3-6-12/h4-6H,1-3,7-9H2
InChIKeySAVWKENOUOWQAA-UHFFFAOYSA-N
MW202.19 g/mol
LogP1.24
Rot. Bonds9

About 3-[bis(3-oxopropyl)phosphanyl]propanal

3-[bis(3-oxopropyl)phosphanyl]propanal (PubChem CID 141170321) has the molecular formula C9H15O3P and a molecular weight of 202.19 g/mol. Its IUPAC name is 3-[bis(3-oxopropyl)phosphanyl]propanal.

Molecular Properties

Compound Name3-[bis(3-oxopropyl)phosphanyl]propanal
PubChem CID141170321
Molecular FormulaC9H15O3P
Molecular Weight202.19 g/mol
Exact Mass202.08
IUPAC Name3-[bis(3-oxopropyl)phosphanyl]propanal
SMILESO=CCCP(CCC=O)CCC=O
InChIInChI=1S/C9H15O3P/c10-4-1-7-13(8-2-5-11)9-3-6-12/h4-6H,1-3,7-9H2
InChIKeySAVWKENOUOWQAA-UHFFFAOYSA-N
XLogP1.24
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[bis(3-oxopropyl)phosphanyl]propanal?
The IUPAC name of 3-[bis(3-oxopropyl)phosphanyl]propanal (CID 141170321) is 3-[bis(3-oxopropyl)phosphanyl]propanal.
What is the SMILES notation for 3-[bis(3-oxopropyl)phosphanyl]propanal?
The canonical SMILES for 3-[bis(3-oxopropyl)phosphanyl]propanal is O=CCCP(CCC=O)CCC=O.
What is the InChIKey of 3-[bis(3-oxopropyl)phosphanyl]propanal?
The InChIKey is SAVWKENOUOWQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O3P/c10-4-1-7-13(8-2-5-11)9-3-6-12/h4-6H,1-3,7-9H2.
What are the key properties of 3-[bis(3-oxopropyl)phosphanyl]propanal?
3-[bis(3-oxopropyl)phosphanyl]propanal has a molecular weight of 202.19 g/mol, XLogP of 1.24, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-oxopropyl)phosphanyl]propanal is sourced from PubChem (CID 141170321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).