cycloundecanecarbonyl chloride

C12H21ClO — CID 13315626

IUPACcycloundecanecarbonyl chloride
SMILESO=C(Cl)C1CCCCCCCCCC1
InChIInChI=1S/C12H21ClO/c13-12(14)11-9-7-5-3-1-2-4-6-8-10-11/h11H,1-10H2
InChIKeyNWVXYXOOMAJNCO-UHFFFAOYSA-N
MW216.75 g/mol
LogP4.28
Rot. Bonds1

About cycloundecanecarbonyl chloride

cycloundecanecarbonyl chloride (PubChem CID 13315626) has the molecular formula C12H21ClO and a molecular weight of 216.75 g/mol. Its IUPAC name is cycloundecanecarbonyl chloride.

Molecular Properties

Compound Namecycloundecanecarbonyl chloride
PubChem CID13315626
Molecular FormulaC12H21ClO
Molecular Weight216.75 g/mol
Exact Mass216.13
IUPAC Namecycloundecanecarbonyl chloride
SMILESO=C(Cl)C1CCCCCCCCCC1
InChIInChI=1S/C12H21ClO/c13-12(14)11-9-7-5-3-1-2-4-6-8-10-11/h11H,1-10H2
InChIKeyNWVXYXOOMAJNCO-UHFFFAOYSA-N
XLogP4.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.75
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cycloundecanecarbonyl chloride?
The IUPAC name of cycloundecanecarbonyl chloride (CID 13315626) is cycloundecanecarbonyl chloride.
What is the SMILES notation for cycloundecanecarbonyl chloride?
The canonical SMILES for cycloundecanecarbonyl chloride is O=C(Cl)C1CCCCCCCCCC1.
What is the InChIKey of cycloundecanecarbonyl chloride?
The InChIKey is NWVXYXOOMAJNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClO/c13-12(14)11-9-7-5-3-1-2-4-6-8-10-11/h11H,1-10H2.
What are the key properties of cycloundecanecarbonyl chloride?
cycloundecanecarbonyl chloride has a molecular weight of 216.75 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloundecanecarbonyl chloride is sourced from PubChem (CID 13315626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).