5-hydroxy-4,4,5-trimethyloxolan-3-one

C7H12O3 — CID 11252079

IUPAC5-hydroxy-4,4,5-trimethyloxolan-3-one
SMILESCC1(O)OCC(=O)C1(C)C
InChIInChI=1S/C7H12O3/c1-6(2)5(8)4-10-7(6,3)9/h9H,4H2,1-3H3
InChIKeyBPECIDHMQGEFQL-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.32
Rot. Bonds

About 5-hydroxy-4,4,5-trimethyloxolan-3-one

5-hydroxy-4,4,5-trimethyloxolan-3-one (PubChem CID 11252079) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 5-hydroxy-4,4,5-trimethyloxolan-3-one.

Molecular Properties

Compound Name5-hydroxy-4,4,5-trimethyloxolan-3-one
PubChem CID11252079
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name5-hydroxy-4,4,5-trimethyloxolan-3-one
SMILESCC1(O)OCC(=O)C1(C)C
InChIInChI=1S/C7H12O3/c1-6(2)5(8)4-10-7(6,3)9/h9H,4H2,1-3H3
InChIKeyBPECIDHMQGEFQL-UHFFFAOYSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,4,5-trimethyloxolan-3-one?
The IUPAC name of 5-hydroxy-4,4,5-trimethyloxolan-3-one (CID 11252079) is 5-hydroxy-4,4,5-trimethyloxolan-3-one.
What is the SMILES notation for 5-hydroxy-4,4,5-trimethyloxolan-3-one?
The canonical SMILES for 5-hydroxy-4,4,5-trimethyloxolan-3-one is CC1(O)OCC(=O)C1(C)C.
What is the InChIKey of 5-hydroxy-4,4,5-trimethyloxolan-3-one?
The InChIKey is BPECIDHMQGEFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-6(2)5(8)4-10-7(6,3)9/h9H,4H2,1-3H3.
What are the key properties of 5-hydroxy-4,4,5-trimethyloxolan-3-one?
5-hydroxy-4,4,5-trimethyloxolan-3-one has a molecular weight of 144.17 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,4,5-trimethyloxolan-3-one is sourced from PubChem (CID 11252079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).