6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane

C13H24O2 — CID 122595932

IUPAC6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane
SMILESCCC(C)(C)C1CCCCC12OCCO2
InChIInChI=1S/C13H24O2/c1-4-12(2,3)11-7-5-6-8-13(11)14-9-10-15-13/h11H,4-10H2,1-3H3
InChIKeyLQSNWUXWZQYFQY-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.36
Rot. Bonds2

About 6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane

6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane (PubChem CID 122595932) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane
PubChem CID122595932
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane
SMILESCCC(C)(C)C1CCCCC12OCCO2
InChIInChI=1S/C13H24O2/c1-4-12(2,3)11-7-5-6-8-13(11)14-9-10-15-13/h11H,4-10H2,1-3H3
InChIKeyLQSNWUXWZQYFQY-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane 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 6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane (CID 122595932) is 6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane is CCC(C)(C)C1CCCCC12OCCO2.
What is the InChIKey of 6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is LQSNWUXWZQYFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-12(2,3)11-7-5-6-8-13(11)14-9-10-15-13/h11H,4-10H2,1-3H3.
What are the key properties of 6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane?
6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 212.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 122595932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).