3,4-dimethyloxolane

C6H12O — CID 543880

IUPAC3,4-dimethyloxolane
SMILESCC1COCC1C
InChIInChI=1S/C6H12O/c1-5-3-7-4-6(5)2/h5-6H,3-4H2,1-2H3
InChIKeyFVAHHPPJYLVIIC-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.29
Rot. Bonds

About 3,4-dimethyloxolane

3,4-dimethyloxolane (PubChem CID 543880) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 3,4-dimethyloxolane.

Molecular Properties

Compound Name3,4-dimethyloxolane
PubChem CID543880
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name3,4-dimethyloxolane
SMILESCC1COCC1C
InChIInChI=1S/C6H12O/c1-5-3-7-4-6(5)2/h5-6H,3-4H2,1-2H3
InChIKeyFVAHHPPJYLVIIC-UHFFFAOYSA-N
XLogP1.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyloxolane?
The IUPAC name of 3,4-dimethyloxolane (CID 543880) is 3,4-dimethyloxolane.
What is the SMILES notation for 3,4-dimethyloxolane?
The canonical SMILES for 3,4-dimethyloxolane is CC1COCC1C.
What is the InChIKey of 3,4-dimethyloxolane?
The InChIKey is FVAHHPPJYLVIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-5-3-7-4-6(5)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,4-dimethyloxolane?
3,4-dimethyloxolane has a molecular weight of 100.16 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyloxolane is sourced from PubChem (CID 543880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).