1,2-dimethylcyclopropane-1-carbonyl chloride

C6H9ClO — CID 22667759

IUPAC1,2-dimethylcyclopropane-1-carbonyl chloride
SMILESCC1CC1(C)C(=O)Cl
InChIInChI=1S/C6H9ClO/c1-4-3-6(4,2)5(7)8/h4H,3H2,1-2H3
InChIKeyWIWDGAZEHLXOTA-UHFFFAOYSA-N
MW132.59 g/mol
LogP1.80
Rot. Bonds1

About 1,2-dimethylcyclopropane-1-carbonyl chloride

1,2-dimethylcyclopropane-1-carbonyl chloride (PubChem CID 22667759) has the molecular formula C6H9ClO and a molecular weight of 132.59 g/mol. Its IUPAC name is 1,2-dimethylcyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name1,2-dimethylcyclopropane-1-carbonyl chloride
PubChem CID22667759
Molecular FormulaC6H9ClO
Molecular Weight132.59 g/mol
Exact Mass132.03
IUPAC Name1,2-dimethylcyclopropane-1-carbonyl chloride
SMILESCC1CC1(C)C(=O)Cl
InChIInChI=1S/C6H9ClO/c1-4-3-6(4,2)5(7)8/h4H,3H2,1-2H3
InChIKeyWIWDGAZEHLXOTA-UHFFFAOYSA-N
XLogP1.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.80
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 1,2-dimethylcyclopropane-1-carbonyl chloride?
The IUPAC name of 1,2-dimethylcyclopropane-1-carbonyl chloride (CID 22667759) is 1,2-dimethylcyclopropane-1-carbonyl chloride.
What is the SMILES notation for 1,2-dimethylcyclopropane-1-carbonyl chloride?
The canonical SMILES for 1,2-dimethylcyclopropane-1-carbonyl chloride is CC1CC1(C)C(=O)Cl.
What is the InChIKey of 1,2-dimethylcyclopropane-1-carbonyl chloride?
The InChIKey is WIWDGAZEHLXOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO/c1-4-3-6(4,2)5(7)8/h4H,3H2,1-2H3.
What are the key properties of 1,2-dimethylcyclopropane-1-carbonyl chloride?
1,2-dimethylcyclopropane-1-carbonyl chloride has a molecular weight of 132.59 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclopropane-1-carbonyl chloride is sourced from PubChem (CID 22667759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).