3,4-dimethyloxolane-3,4-diol

C6H12O3 — CID 154519080

IUPAC3,4-dimethyloxolane-3,4-diol
SMILESCC1(O)COCC1(C)O
InChIInChI=1S/C6H12O3/c1-5(7)3-9-4-6(5,2)8/h7-8H,3-4H2,1-2H3
InChIKeySABQOHPVHIAMDA-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.48
Rot. Bonds

About 3,4-dimethyloxolane-3,4-diol

3,4-dimethyloxolane-3,4-diol (PubChem CID 154519080) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3,4-dimethyloxolane-3,4-diol.

Molecular Properties

Compound Name3,4-dimethyloxolane-3,4-diol
PubChem CID154519080
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name3,4-dimethyloxolane-3,4-diol
SMILESCC1(O)COCC1(C)O
InChIInChI=1S/C6H12O3/c1-5(7)3-9-4-6(5,2)8/h7-8H,3-4H2,1-2H3
InChIKeySABQOHPVHIAMDA-UHFFFAOYSA-N
XLogP-0.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyloxolane-3,4-diol?
The IUPAC name of 3,4-dimethyloxolane-3,4-diol (CID 154519080) is 3,4-dimethyloxolane-3,4-diol.
What is the SMILES notation for 3,4-dimethyloxolane-3,4-diol?
The canonical SMILES for 3,4-dimethyloxolane-3,4-diol is CC1(O)COCC1(C)O.
What is the InChIKey of 3,4-dimethyloxolane-3,4-diol?
The InChIKey is SABQOHPVHIAMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-5(7)3-9-4-6(5,2)8/h7-8H,3-4H2,1-2H3.
What are the key properties of 3,4-dimethyloxolane-3,4-diol?
3,4-dimethyloxolane-3,4-diol has a molecular weight of 132.16 g/mol, XLogP of -0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyloxolane-3,4-diol is sourced from PubChem (CID 154519080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).