2,3-dimethyl-2-prop-1-ynyloxirane

C7H10O — CID 22981451

IUPAC2,3-dimethyl-2-prop-1-ynyloxirane
SMILESCC#CC1(C)OC1C
InChIInChI=1S/C7H10O/c1-4-5-7(3)6(2)8-7/h6H,1-3H3
InChIKeyLKZYAJNSNQLQIN-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.19
Rot. Bonds

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

2,3-dimethyl-2-prop-1-ynyloxirane (PubChem CID 22981451) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 2,3-dimethyl-2-prop-1-ynyloxirane.

Molecular Properties

Compound Name2,3-dimethyl-2-prop-1-ynyloxirane
PubChem CID22981451
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name2,3-dimethyl-2-prop-1-ynyloxirane
SMILESCC#CC1(C)OC1C
InChIInChI=1S/C7H10O/c1-4-5-7(3)6(2)8-7/h6H,1-3H3
InChIKeyLKZYAJNSNQLQIN-UHFFFAOYSA-N
XLogP1.19
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-2-prop-1-ynyloxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-prop-1-ynyloxirane?
The IUPAC name of 2,3-dimethyl-2-prop-1-ynyloxirane (CID 22981451) is 2,3-dimethyl-2-prop-1-ynyloxirane.
What is the SMILES notation for 2,3-dimethyl-2-prop-1-ynyloxirane?
The canonical SMILES for 2,3-dimethyl-2-prop-1-ynyloxirane is CC#CC1(C)OC1C.
What is the InChIKey of 2,3-dimethyl-2-prop-1-ynyloxirane?
The InChIKey is LKZYAJNSNQLQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-4-5-7(3)6(2)8-7/h6H,1-3H3.
What are the key properties of 2,3-dimethyl-2-prop-1-ynyloxirane?
2,3-dimethyl-2-prop-1-ynyloxirane has a molecular weight of 110.16 g/mol, XLogP of 1.19, 0 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-ynyloxirane is sourced from PubChem (CID 22981451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).