2,2-dimethyl-3-(oxiran-2-yl)oxirane

C6H10O2 — CID 173270875

IUPAC2,2-dimethyl-3-(oxiran-2-yl)oxirane
SMILESCC1(C)OC1C1CO1
InChIInChI=1S/C6H10O2/c1-6(2)5(8-6)4-3-7-4/h4-5H,3H2,1-2H3
InChIKeyFDDGOGDPXOWSQL-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.56
Rot. Bonds1

About 2,2-dimethyl-3-(oxiran-2-yl)oxirane

2,2-dimethyl-3-(oxiran-2-yl)oxirane (PubChem CID 173270875) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2,2-dimethyl-3-(oxiran-2-yl)oxirane.

Molecular Properties

Compound Name2,2-dimethyl-3-(oxiran-2-yl)oxirane
PubChem CID173270875
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2,2-dimethyl-3-(oxiran-2-yl)oxirane
SMILESCC1(C)OC1C1CO1
InChIInChI=1S/C6H10O2/c1-6(2)5(8-6)4-3-7-4/h4-5H,3H2,1-2H3
InChIKeyFDDGOGDPXOWSQL-UHFFFAOYSA-N
XLogP0.56
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(oxiran-2-yl)oxirane?
The IUPAC name of 2,2-dimethyl-3-(oxiran-2-yl)oxirane (CID 173270875) is 2,2-dimethyl-3-(oxiran-2-yl)oxirane.
What is the SMILES notation for 2,2-dimethyl-3-(oxiran-2-yl)oxirane?
The canonical SMILES for 2,2-dimethyl-3-(oxiran-2-yl)oxirane is CC1(C)OC1C1CO1.
What is the InChIKey of 2,2-dimethyl-3-(oxiran-2-yl)oxirane?
The InChIKey is FDDGOGDPXOWSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(2)5(8-6)4-3-7-4/h4-5H,3H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(oxiran-2-yl)oxirane?
2,2-dimethyl-3-(oxiran-2-yl)oxirane has a molecular weight of 114.14 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(oxiran-2-yl)oxirane is sourced from PubChem (CID 173270875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).