2-methyl-5-(oxolan-3-yl)oxolane

C9H16O2 — CID 173285756

IUPAC2-methyl-5-(oxolan-3-yl)oxolane
SMILESCC1CCC(C2CCOC2)O1
InChIInChI=1S/C9H16O2/c1-7-2-3-9(11-7)8-4-5-10-6-8/h7-9H,2-6H2,1H3
InChIKeyNJBVAMWVZCTIIJ-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.59
Rot. Bonds1

About 2-methyl-5-(oxolan-3-yl)oxolane

2-methyl-5-(oxolan-3-yl)oxolane (PubChem CID 173285756) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methyl-5-(oxolan-3-yl)oxolane.

Molecular Properties

Compound Name2-methyl-5-(oxolan-3-yl)oxolane
PubChem CID173285756
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methyl-5-(oxolan-3-yl)oxolane
SMILESCC1CCC(C2CCOC2)O1
InChIInChI=1S/C9H16O2/c1-7-2-3-9(11-7)8-4-5-10-6-8/h7-9H,2-6H2,1H3
InChIKeyNJBVAMWVZCTIIJ-UHFFFAOYSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-5-(oxolan-3-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 2-methyl-5-(oxolan-3-yl)oxolane?
The IUPAC name of 2-methyl-5-(oxolan-3-yl)oxolane (CID 173285756) is 2-methyl-5-(oxolan-3-yl)oxolane.
What is the SMILES notation for 2-methyl-5-(oxolan-3-yl)oxolane?
The canonical SMILES for 2-methyl-5-(oxolan-3-yl)oxolane is CC1CCC(C2CCOC2)O1.
What is the InChIKey of 2-methyl-5-(oxolan-3-yl)oxolane?
The InChIKey is NJBVAMWVZCTIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-2-3-9(11-7)8-4-5-10-6-8/h7-9H,2-6H2,1H3.
What are the key properties of 2-methyl-5-(oxolan-3-yl)oxolane?
2-methyl-5-(oxolan-3-yl)oxolane has a molecular weight of 156.22 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxolan-3-yl)oxolane is sourced from PubChem (CID 173285756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).