4-tert-butyl-5-hydroxyoxolan-2-one

C8H14O3 — CID 13207307

IUPAC4-tert-butyl-5-hydroxyoxolan-2-one
SMILESCC(C)(C)C1CC(=O)OC1O
InChIInChI=1S/C8H14O3/c1-8(2,3)5-4-6(9)11-7(5)10/h5,7,10H,4H2,1-3H3
InChIKeyZBJKUIZDGKOXID-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.91
Rot. Bonds

About 4-tert-butyl-5-hydroxyoxolan-2-one

4-tert-butyl-5-hydroxyoxolan-2-one (PubChem CID 13207307) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-tert-butyl-5-hydroxyoxolan-2-one.

Molecular Properties

Compound Name4-tert-butyl-5-hydroxyoxolan-2-one
PubChem CID13207307
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name4-tert-butyl-5-hydroxyoxolan-2-one
SMILESCC(C)(C)C1CC(=O)OC1O
InChIInChI=1S/C8H14O3/c1-8(2,3)5-4-6(9)11-7(5)10/h5,7,10H,4H2,1-3H3
InChIKeyZBJKUIZDGKOXID-UHFFFAOYSA-N
XLogP0.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-5-hydroxyoxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-hydroxyoxolan-2-one?
The IUPAC name of 4-tert-butyl-5-hydroxyoxolan-2-one (CID 13207307) is 4-tert-butyl-5-hydroxyoxolan-2-one.
What is the SMILES notation for 4-tert-butyl-5-hydroxyoxolan-2-one?
The canonical SMILES for 4-tert-butyl-5-hydroxyoxolan-2-one is CC(C)(C)C1CC(=O)OC1O.
What is the InChIKey of 4-tert-butyl-5-hydroxyoxolan-2-one?
The InChIKey is ZBJKUIZDGKOXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(2,3)5-4-6(9)11-7(5)10/h5,7,10H,4H2,1-3H3.
What are the key properties of 4-tert-butyl-5-hydroxyoxolan-2-one?
4-tert-butyl-5-hydroxyoxolan-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-hydroxyoxolan-2-one is sourced from PubChem (CID 13207307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).