3,4-dihydroxy-3,5-dimethyloxolan-2-one

C6H10O4 — CID 130144854

IUPAC3,4-dihydroxy-3,5-dimethyloxolan-2-one
SMILESCC1OC(=O)C(C)(O)C1O
InChIInChI=1S/C6H10O4/c1-3-4(7)6(2,9)5(8)10-3/h3-4,7,9H,1-2H3
InChIKeyWCMYKJKBZGIGND-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.96
Rot. Bonds

About 3,4-dihydroxy-3,5-dimethyloxolan-2-one

3,4-dihydroxy-3,5-dimethyloxolan-2-one (PubChem CID 130144854) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 3,4-dihydroxy-3,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-3,5-dimethyloxolan-2-one
PubChem CID130144854
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name3,4-dihydroxy-3,5-dimethyloxolan-2-one
SMILESCC1OC(=O)C(C)(O)C1O
InChIInChI=1S/C6H10O4/c1-3-4(7)6(2,9)5(8)10-3/h3-4,7,9H,1-2H3
InChIKeyWCMYKJKBZGIGND-UHFFFAOYSA-N
XLogP-0.96
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-3,5-dimethyloxolan-2-one?
The IUPAC name of 3,4-dihydroxy-3,5-dimethyloxolan-2-one (CID 130144854) is 3,4-dihydroxy-3,5-dimethyloxolan-2-one.
What is the SMILES notation for 3,4-dihydroxy-3,5-dimethyloxolan-2-one?
The canonical SMILES for 3,4-dihydroxy-3,5-dimethyloxolan-2-one is CC1OC(=O)C(C)(O)C1O.
What is the InChIKey of 3,4-dihydroxy-3,5-dimethyloxolan-2-one?
The InChIKey is WCMYKJKBZGIGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-3-4(7)6(2,9)5(8)10-3/h3-4,7,9H,1-2H3.
What are the key properties of 3,4-dihydroxy-3,5-dimethyloxolan-2-one?
3,4-dihydroxy-3,5-dimethyloxolan-2-one has a molecular weight of 146.14 g/mol, XLogP of -0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-3,5-dimethyloxolan-2-one is sourced from PubChem (CID 130144854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).