2-cyclobutylacetyl chloride

C6H9ClO — CID 14326266

IUPAC2-cyclobutylacetyl chloride
SMILESO=C(Cl)CC1CCC1
InChIInChI=1S/C6H9ClO/c7-6(8)4-5-2-1-3-5/h5H,1-4H2
InChIKeyZTICGZOOKCTTML-UHFFFAOYSA-N
MW132.59 g/mol
LogP1.94
Rot. Bonds2

About 2-cyclobutylacetyl chloride

2-cyclobutylacetyl chloride (PubChem CID 14326266) has the molecular formula C6H9ClO and a molecular weight of 132.59 g/mol. Its IUPAC name is 2-cyclobutylacetyl chloride.

Molecular Properties

Compound Name2-cyclobutylacetyl chloride
PubChem CID14326266
Molecular FormulaC6H9ClO
Molecular Weight132.59 g/mol
Exact Mass132.03
IUPAC Name2-cyclobutylacetyl chloride
SMILESO=C(Cl)CC1CCC1
InChIInChI=1S/C6H9ClO/c7-6(8)4-5-2-1-3-5/h5H,1-4H2
InChIKeyZTICGZOOKCTTML-UHFFFAOYSA-N
XLogP1.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorocyclohexyl)acetyl chloride
CID 19428388
4-(2-chloro-2-oxoethyl)cyclohexane-1-carbonyl chloride
CID 170407759
2-(1-methylpiperidin-4-yl)acetyl chloride
CID 13282022
2-[3-(cyclooctylmethoxy)cyclodecyl]acetyl chloride
CID 155130954
1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone
CID 114973977
2-cyclobutyl-N-methylacetamide
CID 57296172
N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide
CID 103166954
2-cyclobutyl-1-(1-methylcyclohexyl)ethanone
CID 106829597
N-(2-chloroethyl)-2-cyclobutylacetamide
CID 103164388
2-[4-(dimethylcarbamoylamino)cyclohexyl]acetyl chloride
CID 170985652
1-(azetidin-3-yl)-3-cyclobutylpropan-2-one
CID 116582225
4-chloro-1-cyclopentylbutan-2-one
CID 57105586

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylacetyl chloride?
The IUPAC name of 2-cyclobutylacetyl chloride (CID 14326266) is 2-cyclobutylacetyl chloride.
What is the SMILES notation for 2-cyclobutylacetyl chloride?
The canonical SMILES for 2-cyclobutylacetyl chloride is O=C(Cl)CC1CCC1.
What is the InChIKey of 2-cyclobutylacetyl chloride?
The InChIKey is ZTICGZOOKCTTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO/c7-6(8)4-5-2-1-3-5/h5H,1-4H2.
What are the key properties of 2-cyclobutylacetyl chloride?
2-cyclobutylacetyl chloride has a molecular weight of 132.59 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylacetyl chloride is sourced from PubChem (CID 14326266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).