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

C9H16ClO3P — CID 141170320

IUPAC3-[bis(3-oxopropyl)phosphanyl]propanal;hydrochloride
SMILESCl.O=CCCP(CCC=O)CCC=O
InChIInChI=1S/C9H15O3P.ClH/c10-4-1-7-13(8-2-5-11)9-3-6-12;/h4-6H,1-3,7-9H2;1H
InChIKeyGIVLNOBJINYUNK-UHFFFAOYSA-N
MW238.65 g/mol
LogP1.66
Rot. Bonds9

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

3-[bis(3-oxopropyl)phosphanyl]propanal;hydrochloride (PubChem CID 141170320) has the molecular formula C9H16ClO3P and a molecular weight of 238.65 g/mol. Its IUPAC name is 3-[bis(3-oxopropyl)phosphanyl]propanal;hydrochloride.

Molecular Properties

Compound Name3-[bis(3-oxopropyl)phosphanyl]propanal;hydrochloride
PubChem CID141170320
Molecular FormulaC9H16ClO3P
Molecular Weight238.65 g/mol
Exact Mass238.05
IUPAC Name3-[bis(3-oxopropyl)phosphanyl]propanal;hydrochloride
SMILESCl.O=CCCP(CCC=O)CCC=O
InChIInChI=1S/C9H15O3P.ClH/c10-4-1-7-13(8-2-5-11)9-3-6-12;/h4-6H,1-3,7-9H2;1H
InChIKeyGIVLNOBJINYUNK-UHFFFAOYSA-N
XLogP1.66
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 51.66
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;hydrochloride?
The IUPAC name of 3-[bis(3-oxopropyl)phosphanyl]propanal;hydrochloride (CID 141170320) is 3-[bis(3-oxopropyl)phosphanyl]propanal;hydrochloride.
What is the SMILES notation for 3-[bis(3-oxopropyl)phosphanyl]propanal;hydrochloride?
The canonical SMILES for 3-[bis(3-oxopropyl)phosphanyl]propanal;hydrochloride is Cl.O=CCCP(CCC=O)CCC=O.
What is the InChIKey of 3-[bis(3-oxopropyl)phosphanyl]propanal;hydrochloride?
The InChIKey is GIVLNOBJINYUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O3P.ClH/c10-4-1-7-13(8-2-5-11)9-3-6-12;/h4-6H,1-3,7-9H2;1H.
What are the key properties of 3-[bis(3-oxopropyl)phosphanyl]propanal;hydrochloride?
3-[bis(3-oxopropyl)phosphanyl]propanal;hydrochloride has a molecular weight of 238.65 g/mol, XLogP of 1.66, 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;hydrochloride is sourced from PubChem (CID 141170320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).