11-oxoundecanoyl chloride

C11H19ClO2 — CID 56995388

IUPAC11-oxoundecanoyl chloride
SMILESO=CCCCCCCCCCC(=O)Cl
InChIInChI=1S/C11H19ClO2/c12-11(14)9-7-5-3-1-2-4-6-8-10-13/h10H,1-9H2
InChIKeyREZRGRJQCRAFKL-UHFFFAOYSA-N
MW218.72 g/mol
LogP3.46
Rot. Bonds10

About 11-oxoundecanoyl chloride

11-oxoundecanoyl chloride (PubChem CID 56995388) has the molecular formula C11H19ClO2 and a molecular weight of 218.72 g/mol. Its IUPAC name is 11-oxoundecanoyl chloride.

Molecular Properties

Compound Name11-oxoundecanoyl chloride
PubChem CID56995388
Molecular FormulaC11H19ClO2
Molecular Weight218.72 g/mol
Exact Mass218.11
IUPAC Name11-oxoundecanoyl chloride
SMILESO=CCCCCCCCCCC(=O)Cl
InChIInChI=1S/C11H19ClO2/c12-11(14)9-7-5-3-1-2-4-6-8-10-13/h10H,1-9H2
InChIKeyREZRGRJQCRAFKL-UHFFFAOYSA-N
XLogP3.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.72
LogP ≤ 53.46
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-oxoundecanoyl chloride?
The IUPAC name of 11-oxoundecanoyl chloride (CID 56995388) is 11-oxoundecanoyl chloride.
What is the SMILES notation for 11-oxoundecanoyl chloride?
The canonical SMILES for 11-oxoundecanoyl chloride is O=CCCCCCCCCCC(=O)Cl.
What is the InChIKey of 11-oxoundecanoyl chloride?
The InChIKey is REZRGRJQCRAFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO2/c12-11(14)9-7-5-3-1-2-4-6-8-10-13/h10H,1-9H2.
What are the key properties of 11-oxoundecanoyl chloride?
11-oxoundecanoyl chloride has a molecular weight of 218.72 g/mol, XLogP of 3.46, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxoundecanoyl chloride is sourced from PubChem (CID 56995388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).