2-butan-2-yl-1,3-dioxane

C8H16O2 — CID 20509708

IUPAC2-butan-2-yl-1,3-dioxane
SMILESCCC(C)C1OCCCO1
InChIInChI=1S/C8H16O2/c1-3-7(2)8-9-5-4-6-10-8/h7-8H,3-6H2,1-2H3
InChIKeyIHBCKIGWWQZSKP-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.80
Rot. Bonds2

About 2-butan-2-yl-1,3-dioxane

2-butan-2-yl-1,3-dioxane (PubChem CID 20509708) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-butan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name2-butan-2-yl-1,3-dioxane
PubChem CID20509708
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-butan-2-yl-1,3-dioxane
SMILESCCC(C)C1OCCCO1
InChIInChI=1S/C8H16O2/c1-3-7(2)8-9-5-4-6-10-8/h7-8H,3-6H2,1-2H3
InChIKeyIHBCKIGWWQZSKP-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-butan-2-yl-1,3-dioxane 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-1,3-dioxane?
The IUPAC name of 2-butan-2-yl-1,3-dioxane (CID 20509708) is 2-butan-2-yl-1,3-dioxane.
What is the SMILES notation for 2-butan-2-yl-1,3-dioxane?
The canonical SMILES for 2-butan-2-yl-1,3-dioxane is CCC(C)C1OCCCO1.
What is the InChIKey of 2-butan-2-yl-1,3-dioxane?
The InChIKey is IHBCKIGWWQZSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-7(2)8-9-5-4-6-10-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-butan-2-yl-1,3-dioxane?
2-butan-2-yl-1,3-dioxane has a molecular weight of 144.21 g/mol, XLogP of 1.80, 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-1,3-dioxane is sourced from PubChem (CID 20509708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).