2,2-dimethyl-3-(2-methylprop-1-enyl)oxirane

C8H14O — CID 12553881

IUPAC2,2-dimethyl-3-(2-methylprop-1-enyl)oxirane
SMILESCC(C)=CC1OC1(C)C
InChIInChI=1S/C8H14O/c1-6(2)5-7-8(3,4)9-7/h5,7H,1-4H3
InChIKeyQINZXHVEPUATPM-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds1

About 2,2-dimethyl-3-(2-methylprop-1-enyl)oxirane

2,2-dimethyl-3-(2-methylprop-1-enyl)oxirane (PubChem CID 12553881) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylprop-1-enyl)oxirane.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylprop-1-enyl)oxirane
PubChem CID12553881
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2,2-dimethyl-3-(2-methylprop-1-enyl)oxirane
SMILESCC(C)=CC1OC1(C)C
InChIInChI=1S/C8H14O/c1-6(2)5-7-8(3,4)9-7/h5,7H,1-4H3
InChIKeyQINZXHVEPUATPM-UHFFFAOYSA-N
XLogP2.13
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)oxirane?
The IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)oxirane (CID 12553881) is 2,2-dimethyl-3-(2-methylprop-1-enyl)oxirane.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylprop-1-enyl)oxirane?
The canonical SMILES for 2,2-dimethyl-3-(2-methylprop-1-enyl)oxirane is CC(C)=CC1OC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylprop-1-enyl)oxirane?
The InChIKey is QINZXHVEPUATPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6(2)5-7-8(3,4)9-7/h5,7H,1-4H3.
What are the key properties of 2,2-dimethyl-3-(2-methylprop-1-enyl)oxirane?
2,2-dimethyl-3-(2-methylprop-1-enyl)oxirane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylprop-1-enyl)oxirane is sourced from PubChem (CID 12553881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).