3-(3,3-dimethyloxiran-2-yl)-2,2-dimethyloxirane

C8H14O2 — CID 13401287

IUPAC3-(3,3-dimethyloxiran-2-yl)-2,2-dimethyloxirane
SMILESCC1(C)OC1C1OC1(C)C
InChIInChI=1S/C8H14O2/c1-7(2)5(9-7)6-8(3,4)10-6/h5-6H,1-4H3
InChIKeyBBEMHJHTLCJCPA-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.34
Rot. Bonds1

About 3-(3,3-dimethyloxiran-2-yl)-2,2-dimethyloxirane

3-(3,3-dimethyloxiran-2-yl)-2,2-dimethyloxirane (PubChem CID 13401287) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(3,3-dimethyloxiran-2-yl)-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-(3,3-dimethyloxiran-2-yl)-2,2-dimethyloxirane
PubChem CID13401287
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-(3,3-dimethyloxiran-2-yl)-2,2-dimethyloxirane
SMILESCC1(C)OC1C1OC1(C)C
InChIInChI=1S/C8H14O2/c1-7(2)5(9-7)6-8(3,4)10-6/h5-6H,1-4H3
InChIKeyBBEMHJHTLCJCPA-UHFFFAOYSA-N
XLogP1.34
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.34
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 3-(3,3-dimethyloxiran-2-yl)-2,2-dimethyloxirane?
The IUPAC name of 3-(3,3-dimethyloxiran-2-yl)-2,2-dimethyloxirane (CID 13401287) is 3-(3,3-dimethyloxiran-2-yl)-2,2-dimethyloxirane.
What is the SMILES notation for 3-(3,3-dimethyloxiran-2-yl)-2,2-dimethyloxirane?
The canonical SMILES for 3-(3,3-dimethyloxiran-2-yl)-2,2-dimethyloxirane is CC1(C)OC1C1OC1(C)C.
What is the InChIKey of 3-(3,3-dimethyloxiran-2-yl)-2,2-dimethyloxirane?
The InChIKey is BBEMHJHTLCJCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(2)5(9-7)6-8(3,4)10-6/h5-6H,1-4H3.
What are the key properties of 3-(3,3-dimethyloxiran-2-yl)-2,2-dimethyloxirane?
3-(3,3-dimethyloxiran-2-yl)-2,2-dimethyloxirane has a molecular weight of 142.20 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyloxiran-2-yl)-2,2-dimethyloxirane is sourced from PubChem (CID 13401287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).