2-methyl-2-(2-methylprop-1-enyl)oxirane

C7H12O — CID 11007848

IUPAC2-methyl-2-(2-methylprop-1-enyl)oxirane
SMILESCC(C)=CC1(C)CO1
InChIInChI=1S/C7H12O/c1-6(2)4-7(3)5-8-7/h4H,5H2,1-3H3
InChIKeyCEFDJOWHNSOUTG-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.74
Rot. Bonds1

About 2-methyl-2-(2-methylprop-1-enyl)oxirane

2-methyl-2-(2-methylprop-1-enyl)oxirane (PubChem CID 11007848) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-methyl-2-(2-methylprop-1-enyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(2-methylprop-1-enyl)oxirane
PubChem CID11007848
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-methyl-2-(2-methylprop-1-enyl)oxirane
SMILESCC(C)=CC1(C)CO1
InChIInChI=1S/C7H12O/c1-6(2)4-7(3)5-8-7/h4H,5H2,1-3H3
InChIKeyCEFDJOWHNSOUTG-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Furan, 2,5-dihydro-2,2,4-trimethyl-
CID 566136
2-Pentene, 4-methoxy-2-methyl-
CID 11029801
2-(1-Propenyl)oxirane
CID 12210527
2,2-Dimethyl-3-(2-methylprop-1-enyl)oxirane
CID 12553881
2-(Prop-1-en-1-yl)oxirane
CID 53784205
2-(But-1-en-1-yl)oxirane
CID 57271697
(E)-2-(2,6-dimethylhepta-1,5-dien-1-yl)oxirane
CID 87569587
1-Oxaspiro[2.5]octa-4,7-diene
CID 129748283
2,2-dimethyl-3-[(Z)-prop-1-enyl]oxirane
CID 134973856
2-[(E)-pent-2-en-2-yl]oxirane
CID 135014051
2-(But-2-en-2-yl)oxirane
CID 10887839
4,6,6-Trimethyl-2,3-dihydropyran
CID 10898724

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylprop-1-enyl)oxirane?
The IUPAC name of 2-methyl-2-(2-methylprop-1-enyl)oxirane (CID 11007848) is 2-methyl-2-(2-methylprop-1-enyl)oxirane.
What is the SMILES notation for 2-methyl-2-(2-methylprop-1-enyl)oxirane?
The canonical SMILES for 2-methyl-2-(2-methylprop-1-enyl)oxirane is CC(C)=CC1(C)CO1.
What is the InChIKey of 2-methyl-2-(2-methylprop-1-enyl)oxirane?
The InChIKey is CEFDJOWHNSOUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-6(2)4-7(3)5-8-7/h4H,5H2,1-3H3.
What are the key properties of 2-methyl-2-(2-methylprop-1-enyl)oxirane?
2-methyl-2-(2-methylprop-1-enyl)oxirane has a molecular weight of 112.17 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylprop-1-enyl)oxirane is sourced from PubChem (CID 11007848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).