3-methoxy-3-methyloxolane

C6H12O2 — CID 20798630

IUPAC3-methoxy-3-methyloxolane
SMILESCOC1(C)CCOC1
InChIInChI=1S/C6H12O2/c1-6(7-2)3-4-8-5-6/h3-5H2,1-2H3
InChIKeyZRERZCSAHHNKTJ-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.81
Rot. Bonds1

About 3-methoxy-3-methyloxolane

3-methoxy-3-methyloxolane (PubChem CID 20798630) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-methoxy-3-methyloxolane.

Molecular Properties

Compound Name3-methoxy-3-methyloxolane
PubChem CID20798630
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name3-methoxy-3-methyloxolane
SMILESCOC1(C)CCOC1
InChIInChI=1S/C6H12O2/c1-6(7-2)3-4-8-5-6/h3-5H2,1-2H3
InChIKeyZRERZCSAHHNKTJ-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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyloxolane?
The IUPAC name of 3-methoxy-3-methyloxolane (CID 20798630) is 3-methoxy-3-methyloxolane.
What is the SMILES notation for 3-methoxy-3-methyloxolane?
The canonical SMILES for 3-methoxy-3-methyloxolane is COC1(C)CCOC1.
What is the InChIKey of 3-methoxy-3-methyloxolane?
The InChIKey is ZRERZCSAHHNKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(7-2)3-4-8-5-6/h3-5H2,1-2H3.
What are the key properties of 3-methoxy-3-methyloxolane?
3-methoxy-3-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-3-methyloxolane is sourced from PubChem (CID 20798630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).