2-cyclopropyl-2,3-dimethyloxirane

C7H12O — CID 173434239

IUPAC2-cyclopropyl-2,3-dimethyloxirane
SMILESCC1OC1(C)C1CC1
InChIInChI=1S/C7H12O/c1-5-7(2,8-5)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyIHUWRWXIJNXVKG-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.57
Rot. Bonds1

About 2-cyclopropyl-2,3-dimethyloxirane

2-cyclopropyl-2,3-dimethyloxirane (PubChem CID 173434239) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-cyclopropyl-2,3-dimethyloxirane.

Molecular Properties

Compound Name2-cyclopropyl-2,3-dimethyloxirane
PubChem CID173434239
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-cyclopropyl-2,3-dimethyloxirane
SMILESCC1OC1(C)C1CC1
InChIInChI=1S/C7H12O/c1-5-7(2,8-5)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyIHUWRWXIJNXVKG-UHFFFAOYSA-N
XLogP1.57
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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2,4-dimethyl-1-oxaspiro[2.5]octane
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2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane
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(3R,4S)-4-cyclohexyl-3,4-dimethyloxetan-2-one
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2-cyclotetradecyl-2,3,3,4,4,5,5,6-octamethyloxane
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4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-amine
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6-(bromomethyl)-2-cyclopropyl-2-methyloxane
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2-cyclopropyl-6-(iodomethyl)-2-methyloxane
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trans-(1R,3S)-1,2,2,3-tetramethylcyclopentan-1-amine
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(1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2,3-dimethyloxirane?
The IUPAC name of 2-cyclopropyl-2,3-dimethyloxirane (CID 173434239) is 2-cyclopropyl-2,3-dimethyloxirane.
What is the SMILES notation for 2-cyclopropyl-2,3-dimethyloxirane?
The canonical SMILES for 2-cyclopropyl-2,3-dimethyloxirane is CC1OC1(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2,3-dimethyloxirane?
The InChIKey is IHUWRWXIJNXVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-5-7(2,8-5)6-3-4-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-2,3-dimethyloxirane?
2-cyclopropyl-2,3-dimethyloxirane has a molecular weight of 112.17 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2,3-dimethyloxirane is sourced from PubChem (CID 173434239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).