2,3-dimethyl-2-prop-1-enyloxirane

C7H12O — CID 131852700

IUPAC2,3-dimethyl-2-prop-1-enyloxirane
SMILESCC=CC1(C)OC1C
InChIInChI=1S/C7H12O/c1-4-5-7(3)6(2)8-7/h4-6H,1-3H3
InChIKeyLLFGHPOESAVPOJ-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.74
Rot. Bonds1

About 2,3-dimethyl-2-prop-1-enyloxirane

2,3-dimethyl-2-prop-1-enyloxirane (PubChem CID 131852700) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2,3-dimethyl-2-prop-1-enyloxirane.

Molecular Properties

Compound Name2,3-dimethyl-2-prop-1-enyloxirane
PubChem CID131852700
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2,3-dimethyl-2-prop-1-enyloxirane
SMILESCC=CC1(C)OC1C
InChIInChI=1S/C7H12O/c1-4-5-7(3)6(2)8-7/h4-6H,1-3H3
InChIKeyLLFGHPOESAVPOJ-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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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-prop-1-enyloxirane?
The IUPAC name of 2,3-dimethyl-2-prop-1-enyloxirane (CID 131852700) is 2,3-dimethyl-2-prop-1-enyloxirane.
What is the SMILES notation for 2,3-dimethyl-2-prop-1-enyloxirane?
The canonical SMILES for 2,3-dimethyl-2-prop-1-enyloxirane is CC=CC1(C)OC1C.
What is the InChIKey of 2,3-dimethyl-2-prop-1-enyloxirane?
The InChIKey is LLFGHPOESAVPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-4-5-7(3)6(2)8-7/h4-6H,1-3H3.
What are the key properties of 2,3-dimethyl-2-prop-1-enyloxirane?
2,3-dimethyl-2-prop-1-enyloxirane 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 2,3-dimethyl-2-prop-1-enyloxirane is sourced from PubChem (CID 131852700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).