3,4-dihydroxy-3-methyloxolan-2-one

C5H8O4 — CID 11469098

IUPAC3,4-dihydroxy-3-methyloxolan-2-one
SMILESCC1(O)C(=O)OCC1O
InChIInChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3
InChIKeyOHTGZAWPVDWARE-UHFFFAOYSA-N
MW132.11 g/mol
LogP-1.34
Rot. Bonds

About 3,4-dihydroxy-3-methyloxolan-2-one

3,4-dihydroxy-3-methyloxolan-2-one (PubChem CID 11469098) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is 3,4-dihydroxy-3-methyloxolan-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-3-methyloxolan-2-one
PubChem CID11469098
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name3,4-dihydroxy-3-methyloxolan-2-one
SMILESCC1(O)C(=O)OCC1O
InChIInChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3
InChIKeyOHTGZAWPVDWARE-UHFFFAOYSA-N
XLogP-1.34
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 5-1.34
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-methyloxolan-2-one?
The IUPAC name of 3,4-dihydroxy-3-methyloxolan-2-one (CID 11469098) is 3,4-dihydroxy-3-methyloxolan-2-one.
What is the SMILES notation for 3,4-dihydroxy-3-methyloxolan-2-one?
The canonical SMILES for 3,4-dihydroxy-3-methyloxolan-2-one is CC1(O)C(=O)OCC1O.
What is the InChIKey of 3,4-dihydroxy-3-methyloxolan-2-one?
The InChIKey is OHTGZAWPVDWARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3.
What are the key properties of 3,4-dihydroxy-3-methyloxolan-2-one?
3,4-dihydroxy-3-methyloxolan-2-one has a molecular weight of 132.11 g/mol, XLogP of -1.34, 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-methyloxolan-2-one is sourced from PubChem (CID 11469098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).