propanal;propanoyl chloride

C6H11ClO2 — CID 174547301

IUPACpropanal;propanoyl chloride
SMILESCCC(=O)Cl.CCC=O
InChIInChI=1S/C3H5ClO.C3H6O/c1-2-3(4)5;1-2-3-4/h2H2,1H3;3H,2H2,1H3
InChIKeyHPRPIOBNCBCXAJ-UHFFFAOYSA-N
MW150.61 g/mol
LogP1.76
Rot. Bonds2

About propanal;propanoyl chloride

propanal;propanoyl chloride (PubChem CID 174547301) has the molecular formula C6H11ClO2 and a molecular weight of 150.61 g/mol. Its IUPAC name is propanal;propanoyl chloride.

Molecular Properties

Compound Namepropanal;propanoyl chloride
PubChem CID174547301
Molecular FormulaC6H11ClO2
Molecular Weight150.61 g/mol
Exact Mass150.04
IUPAC Namepropanal;propanoyl chloride
SMILESCCC(=O)Cl.CCC=O
InChIInChI=1S/C3H5ClO.C3H6O/c1-2-3(4)5;1-2-3-4/h2H2,1H3;3H,2H2,1H3
InChIKeyHPRPIOBNCBCXAJ-UHFFFAOYSA-N
XLogP1.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propanal;propanoyl chloride?
The IUPAC name of propanal;propanoyl chloride (CID 174547301) is propanal;propanoyl chloride.
What is the SMILES notation for propanal;propanoyl chloride?
The canonical SMILES for propanal;propanoyl chloride is CCC(=O)Cl.CCC=O.
What is the InChIKey of propanal;propanoyl chloride?
The InChIKey is HPRPIOBNCBCXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO.C3H6O/c1-2-3(4)5;1-2-3-4/h2H2,1H3;3H,2H2,1H3.
What are the key properties of propanal;propanoyl chloride?
propanal;propanoyl chloride has a molecular weight of 150.61 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanal;propanoyl chloride is sourced from PubChem (CID 174547301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).