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

C7H12O2 — CID 18345584

IUPAC2,2-dimethyl-3-(3-methyloxiran-2-yl)oxirane
SMILESCC1OC1C1OC1(C)C
InChIInChI=1S/C7H12O2/c1-4-5(8-4)6-7(2,3)9-6/h4-6H,1-3H3
InChIKeyFVZRNMOOSNSBKU-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.95
Rot. Bonds1

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

2,2-dimethyl-3-(3-methyloxiran-2-yl)oxirane (PubChem CID 18345584) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methyloxiran-2-yl)oxirane.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methyloxiran-2-yl)oxirane
PubChem CID18345584
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2,2-dimethyl-3-(3-methyloxiran-2-yl)oxirane
SMILESCC1OC1C1OC1(C)C
InChIInChI=1S/C7H12O2/c1-4-5(8-4)6-7(2,3)9-6/h4-6H,1-3H3
InChIKeyFVZRNMOOSNSBKU-UHFFFAOYSA-N
XLogP0.95
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.95
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-(3-methyloxiran-2-yl)oxirane?
The IUPAC name of 2,2-dimethyl-3-(3-methyloxiran-2-yl)oxirane (CID 18345584) is 2,2-dimethyl-3-(3-methyloxiran-2-yl)oxirane.
What is the SMILES notation for 2,2-dimethyl-3-(3-methyloxiran-2-yl)oxirane?
The canonical SMILES for 2,2-dimethyl-3-(3-methyloxiran-2-yl)oxirane is CC1OC1C1OC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(3-methyloxiran-2-yl)oxirane?
The InChIKey is FVZRNMOOSNSBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-4-5(8-4)6-7(2,3)9-6/h4-6H,1-3H3.
What are the key properties of 2,2-dimethyl-3-(3-methyloxiran-2-yl)oxirane?
2,2-dimethyl-3-(3-methyloxiran-2-yl)oxirane has a molecular weight of 128.17 g/mol, XLogP of 0.95, 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-(3-methyloxiran-2-yl)oxirane is sourced from PubChem (CID 18345584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).