5-hydroxy-3-methyloxolan-2-one

C5H8O3 — CID 12794198

IUPAC5-hydroxy-3-methyloxolan-2-one
SMILESCC1CC(O)OC1=O
InChIInChI=1S/C5H8O3/c1-3-2-4(6)8-5(3)7/h3-4,6H,2H2,1H3
InChIKeyATFSUVUJMKALFI-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.11
Rot. Bonds

About 5-hydroxy-3-methyloxolan-2-one

5-hydroxy-3-methyloxolan-2-one (PubChem CID 12794198) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 5-hydroxy-3-methyloxolan-2-one.

Molecular Properties

Compound Name5-hydroxy-3-methyloxolan-2-one
PubChem CID12794198
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name5-hydroxy-3-methyloxolan-2-one
SMILESCC1CC(O)OC1=O
InChIInChI=1S/C5H8O3/c1-3-2-4(6)8-5(3)7/h3-4,6H,2H2,1H3
InChIKeyATFSUVUJMKALFI-UHFFFAOYSA-N
XLogP-0.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyloxolan-2-one?
The IUPAC name of 5-hydroxy-3-methyloxolan-2-one (CID 12794198) is 5-hydroxy-3-methyloxolan-2-one.
What is the SMILES notation for 5-hydroxy-3-methyloxolan-2-one?
The canonical SMILES for 5-hydroxy-3-methyloxolan-2-one is CC1CC(O)OC1=O.
What is the InChIKey of 5-hydroxy-3-methyloxolan-2-one?
The InChIKey is ATFSUVUJMKALFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-3-2-4(6)8-5(3)7/h3-4,6H,2H2,1H3.
What are the key properties of 5-hydroxy-3-methyloxolan-2-one?
5-hydroxy-3-methyloxolan-2-one has a molecular weight of 116.12 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyloxolan-2-one is sourced from PubChem (CID 12794198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).