2-butan-2-yl-4-methyl-1,3-dioxolane

C8H16O2 — CID 529400

IUPAC2-butan-2-yl-4-methyl-1,3-dioxolane
SMILESCCC(C)C1OCC(C)O1
InChIInChI=1S/C8H16O2/c1-4-6(2)8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3
InChIKeyMQZVWFKZBQTGMS-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.79
Rot. Bonds2

About 2-butan-2-yl-4-methyl-1,3-dioxolane

2-butan-2-yl-4-methyl-1,3-dioxolane (PubChem CID 529400) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-butan-2-yl-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-butan-2-yl-4-methyl-1,3-dioxolane
PubChem CID529400
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-butan-2-yl-4-methyl-1,3-dioxolane
SMILESCCC(C)C1OCC(C)O1
InChIInChI=1S/C8H16O2/c1-4-6(2)8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3
InChIKeyMQZVWFKZBQTGMS-UHFFFAOYSA-N
XLogP1.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-butan-2-yl-4-methyl-1,3-dioxolane 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-butan-2-yl-4-methyl-1,3-dioxolane?
The IUPAC name of 2-butan-2-yl-4-methyl-1,3-dioxolane (CID 529400) is 2-butan-2-yl-4-methyl-1,3-dioxolane.
What is the SMILES notation for 2-butan-2-yl-4-methyl-1,3-dioxolane?
The canonical SMILES for 2-butan-2-yl-4-methyl-1,3-dioxolane is CCC(C)C1OCC(C)O1.
What is the InChIKey of 2-butan-2-yl-4-methyl-1,3-dioxolane?
The InChIKey is MQZVWFKZBQTGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-6(2)8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-butan-2-yl-4-methyl-1,3-dioxolane?
2-butan-2-yl-4-methyl-1,3-dioxolane has a molecular weight of 144.21 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-methyl-1,3-dioxolane is sourced from PubChem (CID 529400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).