2-methyl-4-(2-methyloxiran-2-yl)oxane

C9H16O2 — CID 89260335

IUPAC2-methyl-4-(2-methyloxiran-2-yl)oxane
SMILESCC1CC(C2(C)CO2)CCO1
InChIInChI=1S/C9H16O2/c1-7-5-8(3-4-10-7)9(2)6-11-9/h7-8H,3-6H2,1-2H3
InChIKeyOVNCSVQGFFUEDL-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.59
Rot. Bonds1

About 2-methyl-4-(2-methyloxiran-2-yl)oxane

2-methyl-4-(2-methyloxiran-2-yl)oxane (PubChem CID 89260335) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methyl-4-(2-methyloxiran-2-yl)oxane.

Molecular Properties

Compound Name2-methyl-4-(2-methyloxiran-2-yl)oxane
PubChem CID89260335
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methyl-4-(2-methyloxiran-2-yl)oxane
SMILESCC1CC(C2(C)CO2)CCO1
InChIInChI=1S/C9H16O2/c1-7-5-8(3-4-10-7)9(2)6-11-9/h7-8H,3-6H2,1-2H3
InChIKeyOVNCSVQGFFUEDL-UHFFFAOYSA-N
XLogP1.59
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.59
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-4-(2-methyloxiran-2-yl)oxane?
The IUPAC name of 2-methyl-4-(2-methyloxiran-2-yl)oxane (CID 89260335) is 2-methyl-4-(2-methyloxiran-2-yl)oxane.
What is the SMILES notation for 2-methyl-4-(2-methyloxiran-2-yl)oxane?
The canonical SMILES for 2-methyl-4-(2-methyloxiran-2-yl)oxane is CC1CC(C2(C)CO2)CCO1.
What is the InChIKey of 2-methyl-4-(2-methyloxiran-2-yl)oxane?
The InChIKey is OVNCSVQGFFUEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-5-8(3-4-10-7)9(2)6-11-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-methyl-4-(2-methyloxiran-2-yl)oxane?
2-methyl-4-(2-methyloxiran-2-yl)oxane has a molecular weight of 156.22 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methyloxiran-2-yl)oxane is sourced from PubChem (CID 89260335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).