2-(1-methylcyclobutyl)oxirane

C7H12O — CID 178200623

IUPAC2-(1-methylcyclobutyl)oxirane
SMILESCC1(C2CO2)CCC1
InChIInChI=1S/C7H12O/c1-7(3-2-4-7)6-5-8-6/h6H,2-5H2,1H3
InChIKeyRMTKPHWQHGJNIJ-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.58
Rot. Bonds1

About 2-(1-methylcyclobutyl)oxirane

2-(1-methylcyclobutyl)oxirane (PubChem CID 178200623) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-(1-methylcyclobutyl)oxirane.

Molecular Properties

Compound Name2-(1-methylcyclobutyl)oxirane
PubChem CID178200623
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-(1-methylcyclobutyl)oxirane
SMILESCC1(C2CO2)CCC1
InChIInChI=1S/C7H12O/c1-7(3-2-4-7)6-5-8-6/h6H,2-5H2,1H3
InChIKeyRMTKPHWQHGJNIJ-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
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

2-(1-methylcyclohexyl)oxolane
CID 23594551
(1-methylcyclobutyl)-λ2-stannane
CID 174698454
2-(1-ethenylcyclohexyl)oxirane
CID 12634646
2-(1-ethylcyclohexyl)oxirane
CID 123342975
2-[(1-methylcyclobutyl)oxymethyl]oxirane
CID 175392123
2-methyloxirane;1,1,2-trimethylcyclohexane
CID 20977929
(1R,5S)-1,5-dimethyl-6,7,8-trioxabicyclo[3.2.1]octane
CID 11819178
1-[(2R)-oxiran-2-yl]cyclopropan-1-ol
CID 102424784
2-(1-methylcyclohexyl)-2H-1,4-oxazine
CID 91574568
(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane
CID 71019394
ethane;(1R,5S)-5-methyl-2-oxabicyclo[3.1.0]hexane
CID 155748871
(3R,3aS,6aR)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol
CID 10582888

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclobutyl)oxirane?
The IUPAC name of 2-(1-methylcyclobutyl)oxirane (CID 178200623) is 2-(1-methylcyclobutyl)oxirane.
What is the SMILES notation for 2-(1-methylcyclobutyl)oxirane?
The canonical SMILES for 2-(1-methylcyclobutyl)oxirane is CC1(C2CO2)CCC1.
What is the InChIKey of 2-(1-methylcyclobutyl)oxirane?
The InChIKey is RMTKPHWQHGJNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-7(3-2-4-7)6-5-8-6/h6H,2-5H2,1H3.
What are the key properties of 2-(1-methylcyclobutyl)oxirane?
2-(1-methylcyclobutyl)oxirane has a molecular weight of 112.17 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclobutyl)oxirane is sourced from PubChem (CID 178200623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).