2-(2,4-dimethylpentan-2-yl)-1,8-dioxaspiro[3.4]octane

C13H24O2 — CID 91407025

IUPAC2-(2,4-dimethylpentan-2-yl)-1,8-dioxaspiro[3.4]octane
SMILESCC(C)CC(C)(C)C1CC2(CCCO2)O1
InChIInChI=1S/C13H24O2/c1-10(2)8-12(3,4)11-9-13(15-11)6-5-7-14-13/h10-11H,5-9H2,1-4H3
InChIKeyJVWINGJSPTYEQH-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.35
Rot. Bonds3

About 2-(2,4-dimethylpentan-2-yl)-1,8-dioxaspiro[3.4]octane

2-(2,4-dimethylpentan-2-yl)-1,8-dioxaspiro[3.4]octane (PubChem CID 91407025) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-(2,4-dimethylpentan-2-yl)-1,8-dioxaspiro[3.4]octane.

Molecular Properties

Compound Name2-(2,4-dimethylpentan-2-yl)-1,8-dioxaspiro[3.4]octane
PubChem CID91407025
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-(2,4-dimethylpentan-2-yl)-1,8-dioxaspiro[3.4]octane
SMILESCC(C)CC(C)(C)C1CC2(CCCO2)O1
InChIInChI=1S/C13H24O2/c1-10(2)8-12(3,4)11-9-13(15-11)6-5-7-14-13/h10-11H,5-9H2,1-4H3
InChIKeyJVWINGJSPTYEQH-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpentan-2-yl)-1,8-dioxaspiro[3.4]octane?
The IUPAC name of 2-(2,4-dimethylpentan-2-yl)-1,8-dioxaspiro[3.4]octane (CID 91407025) is 2-(2,4-dimethylpentan-2-yl)-1,8-dioxaspiro[3.4]octane.
What is the SMILES notation for 2-(2,4-dimethylpentan-2-yl)-1,8-dioxaspiro[3.4]octane?
The canonical SMILES for 2-(2,4-dimethylpentan-2-yl)-1,8-dioxaspiro[3.4]octane is CC(C)CC(C)(C)C1CC2(CCCO2)O1.
What is the InChIKey of 2-(2,4-dimethylpentan-2-yl)-1,8-dioxaspiro[3.4]octane?
The InChIKey is JVWINGJSPTYEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-10(2)8-12(3,4)11-9-13(15-11)6-5-7-14-13/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-(2,4-dimethylpentan-2-yl)-1,8-dioxaspiro[3.4]octane?
2-(2,4-dimethylpentan-2-yl)-1,8-dioxaspiro[3.4]octane has a molecular weight of 212.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpentan-2-yl)-1,8-dioxaspiro[3.4]octane is sourced from PubChem (CID 91407025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).