4-tert-butyl-2-(oxolan-2-yl)oxolane

C12H22O2 — CID 22111453

IUPAC4-tert-butyl-2-(oxolan-2-yl)oxolane
SMILESCC(C)(C)C1COC(C2CCCO2)C1
InChIInChI=1S/C12H22O2/c1-12(2,3)9-7-11(14-8-9)10-5-4-6-13-10/h9-11H,4-8H2,1-3H3
InChIKeyGXOPUJGFTZJMAG-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.62
Rot. Bonds1

About 4-tert-butyl-2-(oxolan-2-yl)oxolane

4-tert-butyl-2-(oxolan-2-yl)oxolane (PubChem CID 22111453) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-tert-butyl-2-(oxolan-2-yl)oxolane.

Molecular Properties

Compound Name4-tert-butyl-2-(oxolan-2-yl)oxolane
PubChem CID22111453
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name4-tert-butyl-2-(oxolan-2-yl)oxolane
SMILESCC(C)(C)C1COC(C2CCCO2)C1
InChIInChI=1S/C12H22O2/c1-12(2,3)9-7-11(14-8-9)10-5-4-6-13-10/h9-11H,4-8H2,1-3H3
InChIKeyGXOPUJGFTZJMAG-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-2-(oxolan-2-yl)oxolane 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-2-(oxolan-2-yl)oxolane?
The IUPAC name of 4-tert-butyl-2-(oxolan-2-yl)oxolane (CID 22111453) is 4-tert-butyl-2-(oxolan-2-yl)oxolane.
What is the SMILES notation for 4-tert-butyl-2-(oxolan-2-yl)oxolane?
The canonical SMILES for 4-tert-butyl-2-(oxolan-2-yl)oxolane is CC(C)(C)C1COC(C2CCCO2)C1.
What is the InChIKey of 4-tert-butyl-2-(oxolan-2-yl)oxolane?
The InChIKey is GXOPUJGFTZJMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-12(2,3)9-7-11(14-8-9)10-5-4-6-13-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(oxolan-2-yl)oxolane?
4-tert-butyl-2-(oxolan-2-yl)oxolane has a molecular weight of 198.31 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(oxolan-2-yl)oxolane is sourced from PubChem (CID 22111453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).