2,5-dimethyl-3-(3-methylbutyl)oxolane

C11H22O — CID 91749695

IUPAC2,5-dimethyl-3-(3-methylbutyl)oxolane
SMILESCC(C)CCC1CC(C)OC1C
InChIInChI=1S/C11H22O/c1-8(2)5-6-11-7-9(3)12-10(11)4/h8-11H,5-7H2,1-4H3
InChIKeyRRMWFLAUEYCDIF-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.24
Rot. Bonds3

About 2,5-dimethyl-3-(3-methylbutyl)oxolane

2,5-dimethyl-3-(3-methylbutyl)oxolane (PubChem CID 91749695) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2,5-dimethyl-3-(3-methylbutyl)oxolane.

Molecular Properties

Compound Name2,5-dimethyl-3-(3-methylbutyl)oxolane
PubChem CID91749695
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2,5-dimethyl-3-(3-methylbutyl)oxolane
SMILESCC(C)CCC1CC(C)OC1C
InChIInChI=1S/C11H22O/c1-8(2)5-6-11-7-9(3)12-10(11)4/h8-11H,5-7H2,1-4H3
InChIKeyRRMWFLAUEYCDIF-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,5-dimethyl-3-(3-methylbutyl)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 2,5-dimethyl-3-(3-methylbutyl)oxolane?
The IUPAC name of 2,5-dimethyl-3-(3-methylbutyl)oxolane (CID 91749695) is 2,5-dimethyl-3-(3-methylbutyl)oxolane.
What is the SMILES notation for 2,5-dimethyl-3-(3-methylbutyl)oxolane?
The canonical SMILES for 2,5-dimethyl-3-(3-methylbutyl)oxolane is CC(C)CCC1CC(C)OC1C.
What is the InChIKey of 2,5-dimethyl-3-(3-methylbutyl)oxolane?
The InChIKey is RRMWFLAUEYCDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-8(2)5-6-11-7-9(3)12-10(11)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 2,5-dimethyl-3-(3-methylbutyl)oxolane?
2,5-dimethyl-3-(3-methylbutyl)oxolane has a molecular weight of 170.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(3-methylbutyl)oxolane is sourced from PubChem (CID 91749695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).