3-(2-oxocyclododecyl)propanoyl chloride

C15H25ClO2 — CID 54316934

IUPAC3-(2-oxocyclododecyl)propanoyl chloride
SMILESO=C(Cl)CCC1CCCCCCCCCCC1=O
InChIInChI=1S/C15H25ClO2/c16-15(18)12-11-13-9-7-5-3-1-2-4-6-8-10-14(13)17/h13H,1-12H2
InChIKeySOWJVUWTMDGHHR-UHFFFAOYSA-N
MW272.82 g/mol
LogP4.63
Rot. Bonds3

About 3-(2-oxocyclododecyl)propanoyl chloride

3-(2-oxocyclododecyl)propanoyl chloride (PubChem CID 54316934) has the molecular formula C15H25ClO2 and a molecular weight of 272.82 g/mol. Its IUPAC name is 3-(2-oxocyclododecyl)propanoyl chloride.

Molecular Properties

Compound Name3-(2-oxocyclododecyl)propanoyl chloride
PubChem CID54316934
Molecular FormulaC15H25ClO2
Molecular Weight272.82 g/mol
Exact Mass272.15
IUPAC Name3-(2-oxocyclododecyl)propanoyl chloride
SMILESO=C(Cl)CCC1CCCCCCCCCCC1=O
InChIInChI=1S/C15H25ClO2/c16-15(18)12-11-13-9-7-5-3-1-2-4-6-8-10-14(13)17/h13H,1-12H2
InChIKeySOWJVUWTMDGHHR-UHFFFAOYSA-N
XLogP4.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(1R)-2-oxocyclododecyl]propanoic acid
CID 7018981
2-(3-oxo-3-piperidin-1-ylpropyl)cyclohexan-1-one
CID 14393613
2-(3-methylbut-3-enyl)cyclohexan-1-one
CID 11217447
4-(2-oxocyclohexyl)butanoic acid
CID 10559385
2-(3-oxo-3-phenylpropyl)cycloheptan-1-one
CID 10824211
2-(4-diazo-3-oxobutyl)cycloheptan-1-one
CID 101125762
2-(3-oxoheptyl)cyclohexan-1-one
CID 71341464
2-(hydroxymethyl)cycloheptan-1-one
CID 13140470
3-[3-(2-oxocyclododecyl)propanoyl]oxolane-2,4-dione
CID 54184796
(2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one
CID 712460
2-(3-oxo-3-phenylpropyl)cyclohexan-1-one
CID 2751330
2-(3-hydroxy-3-methylbutyl)cycloheptan-1-one
CID 79417135

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxocyclododecyl)propanoyl chloride?
The IUPAC name of 3-(2-oxocyclododecyl)propanoyl chloride (CID 54316934) is 3-(2-oxocyclododecyl)propanoyl chloride.
What is the SMILES notation for 3-(2-oxocyclododecyl)propanoyl chloride?
The canonical SMILES for 3-(2-oxocyclododecyl)propanoyl chloride is O=C(Cl)CCC1CCCCCCCCCCC1=O.
What is the InChIKey of 3-(2-oxocyclododecyl)propanoyl chloride?
The InChIKey is SOWJVUWTMDGHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClO2/c16-15(18)12-11-13-9-7-5-3-1-2-4-6-8-10-14(13)17/h13H,1-12H2.
What are the key properties of 3-(2-oxocyclododecyl)propanoyl chloride?
3-(2-oxocyclododecyl)propanoyl chloride has a molecular weight of 272.82 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxocyclododecyl)propanoyl chloride is sourced from PubChem (CID 54316934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).