3-propan-2-yloxolan-3-ol

C7H14O2 — CID 58551503

IUPAC3-propan-2-yloxolan-3-ol
SMILESCC(C)C1(O)CCOC1
InChIInChI=1S/C7H14O2/c1-6(2)7(8)3-4-9-5-7/h6,8H,3-5H2,1-2H3
InChIKeyJDDAUAFMBIXUHD-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.79
Rot. Bonds1

About 3-propan-2-yloxolan-3-ol

3-propan-2-yloxolan-3-ol (PubChem CID 58551503) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-propan-2-yloxolan-3-ol.

Molecular Properties

Compound Name3-propan-2-yloxolan-3-ol
PubChem CID58551503
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name3-propan-2-yloxolan-3-ol
SMILESCC(C)C1(O)CCOC1
InChIInChI=1S/C7H14O2/c1-6(2)7(8)3-4-9-5-7/h6,8H,3-5H2,1-2H3
InChIKeyJDDAUAFMBIXUHD-UHFFFAOYSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-propan-2-yloxolan-3-ol 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 3-propan-2-yloxolan-3-ol?
The IUPAC name of 3-propan-2-yloxolan-3-ol (CID 58551503) is 3-propan-2-yloxolan-3-ol.
What is the SMILES notation for 3-propan-2-yloxolan-3-ol?
The canonical SMILES for 3-propan-2-yloxolan-3-ol is CC(C)C1(O)CCOC1.
What is the InChIKey of 3-propan-2-yloxolan-3-ol?
The InChIKey is JDDAUAFMBIXUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-6(2)7(8)3-4-9-5-7/h6,8H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yloxolan-3-ol?
3-propan-2-yloxolan-3-ol has a molecular weight of 130.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxolan-3-ol is sourced from PubChem (CID 58551503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).