2-methyl-2-(oxiran-2-ylmethyl)oxirane

C6H10O2 — CID 22564561

IUPAC2-methyl-2-(oxiran-2-ylmethyl)oxirane
SMILESCC1(CC2CO2)CO1
InChIInChI=1S/C6H10O2/c1-6(4-8-6)2-5-3-7-5/h5H,2-4H2,1H3
InChIKeyNVTVNBJOQXLQQT-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.56
Rot. Bonds2

About 2-methyl-2-(oxiran-2-ylmethyl)oxirane

2-methyl-2-(oxiran-2-ylmethyl)oxirane (PubChem CID 22564561) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-methyl-2-(oxiran-2-ylmethyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(oxiran-2-ylmethyl)oxirane
PubChem CID22564561
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-methyl-2-(oxiran-2-ylmethyl)oxirane
SMILESCC1(CC2CO2)CO1
InChIInChI=1S/C6H10O2/c1-6(4-8-6)2-5-3-7-5/h5H,2-4H2,1H3
InChIKeyNVTVNBJOQXLQQT-UHFFFAOYSA-N
XLogP0.56
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-methyl-2-(oxiran-2-ylmethyl)oxirane?
The IUPAC name of 2-methyl-2-(oxiran-2-ylmethyl)oxirane (CID 22564561) is 2-methyl-2-(oxiran-2-ylmethyl)oxirane.
What is the SMILES notation for 2-methyl-2-(oxiran-2-ylmethyl)oxirane?
The canonical SMILES for 2-methyl-2-(oxiran-2-ylmethyl)oxirane is CC1(CC2CO2)CO1.
What is the InChIKey of 2-methyl-2-(oxiran-2-ylmethyl)oxirane?
The InChIKey is NVTVNBJOQXLQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(4-8-6)2-5-3-7-5/h5H,2-4H2,1H3.
What are the key properties of 2-methyl-2-(oxiran-2-ylmethyl)oxirane?
2-methyl-2-(oxiran-2-ylmethyl)oxirane has a molecular weight of 114.14 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxiran-2-ylmethyl)oxirane is sourced from PubChem (CID 22564561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).