3-methoxy-2-methyloxolane

C6H12O2 — CID 15552986

IUPAC3-methoxy-2-methyloxolane
SMILESCOC1CCOC1C
InChIInChI=1S/C6H12O2/c1-5-6(7-2)3-4-8-5/h5-6H,3-4H2,1-2H3
InChIKeySCDZJGDQQRNLPE-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.81
Rot. Bonds1

About 3-methoxy-2-methyloxolane

3-methoxy-2-methyloxolane (PubChem CID 15552986) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-methoxy-2-methyloxolane.

Molecular Properties

Compound Name3-methoxy-2-methyloxolane
PubChem CID15552986
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name3-methoxy-2-methyloxolane
SMILESCOC1CCOC1C
InChIInChI=1S/C6H12O2/c1-5-6(7-2)3-4-8-5/h5-6H,3-4H2,1-2H3
InChIKeySCDZJGDQQRNLPE-UHFFFAOYSA-N
XLogP0.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-2-methyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyloxolane?
The IUPAC name of 3-methoxy-2-methyloxolane (CID 15552986) is 3-methoxy-2-methyloxolane.
What is the SMILES notation for 3-methoxy-2-methyloxolane?
The canonical SMILES for 3-methoxy-2-methyloxolane is COC1CCOC1C.
What is the InChIKey of 3-methoxy-2-methyloxolane?
The InChIKey is SCDZJGDQQRNLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-5-6(7-2)3-4-8-5/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-methoxy-2-methyloxolane?
3-methoxy-2-methyloxolane has a molecular weight of 116.16 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyloxolane is sourced from PubChem (CID 15552986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).