2-(3,3-dimethyloxiran-2-yl)-4-methyloxane

C10H18O2 — CID 14644112

IUPAC2-(3,3-dimethyloxiran-2-yl)-4-methyloxane
SMILESCC1CCOC(C2OC2(C)C)C1
InChIInChI=1S/C10H18O2/c1-7-4-5-11-8(6-7)9-10(2,3)12-9/h7-9H,4-6H2,1-3H3
InChIKeyWJXPSIYAXOVSRJ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.98
Rot. Bonds1

About 2-(3,3-dimethyloxiran-2-yl)-4-methyloxane

2-(3,3-dimethyloxiran-2-yl)-4-methyloxane (PubChem CID 14644112) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(3,3-dimethyloxiran-2-yl)-4-methyloxane.

Molecular Properties

Compound Name2-(3,3-dimethyloxiran-2-yl)-4-methyloxane
PubChem CID14644112
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(3,3-dimethyloxiran-2-yl)-4-methyloxane
SMILESCC1CCOC(C2OC2(C)C)C1
InChIInChI=1S/C10H18O2/c1-7-4-5-11-8(6-7)9-10(2,3)12-9/h7-9H,4-6H2,1-3H3
InChIKeyWJXPSIYAXOVSRJ-UHFFFAOYSA-N
XLogP1.98
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.98
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-(3,3-dimethyloxiran-2-yl)-4-methyloxane?
The IUPAC name of 2-(3,3-dimethyloxiran-2-yl)-4-methyloxane (CID 14644112) is 2-(3,3-dimethyloxiran-2-yl)-4-methyloxane.
What is the SMILES notation for 2-(3,3-dimethyloxiran-2-yl)-4-methyloxane?
The canonical SMILES for 2-(3,3-dimethyloxiran-2-yl)-4-methyloxane is CC1CCOC(C2OC2(C)C)C1.
What is the InChIKey of 2-(3,3-dimethyloxiran-2-yl)-4-methyloxane?
The InChIKey is WJXPSIYAXOVSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-4-5-11-8(6-7)9-10(2,3)12-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-(3,3-dimethyloxiran-2-yl)-4-methyloxane?
2-(3,3-dimethyloxiran-2-yl)-4-methyloxane has a molecular weight of 170.25 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyloxiran-2-yl)-4-methyloxane is sourced from PubChem (CID 14644112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).