4,8-ditert-butyl-4,8-dimethyl-1,2,6,7-tetraoxadispiro[2.1.25.13]octane

C14H24O4 — CID 101147519

IUPAC4,8-ditert-butyl-4,8-dimethyl-1,2,6,7-tetraoxadispiro[2.1.25.13]octane
SMILESCC(C)(C)C1(C)C2(OO2)C(C)(C(C)(C)C)C12OO2
InChIInChI=1S/C14H24O4/c1-9(2,3)11(7)13(15-16-13)12(8,10(4,5)6)14(11)17-18-14/h1-8H3
InChIKeyJUTLKPCWGHNLTG-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.42
Rot. Bonds

About 4,8-ditert-butyl-4,8-dimethyl-1,2,6,7-tetraoxadispiro[2.1.25.13]octane

4,8-ditert-butyl-4,8-dimethyl-1,2,6,7-tetraoxadispiro[2.1.25.13]octane (PubChem CID 101147519) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4,8-ditert-butyl-4,8-dimethyl-1,2,6,7-tetraoxadispiro[2.1.25.13]octane.

Molecular Properties

Compound Name4,8-ditert-butyl-4,8-dimethyl-1,2,6,7-tetraoxadispiro[2.1.25.13]octane
PubChem CID101147519
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name4,8-ditert-butyl-4,8-dimethyl-1,2,6,7-tetraoxadispiro[2.1.25.13]octane
SMILESCC(C)(C)C1(C)C2(OO2)C(C)(C(C)(C)C)C12OO2
InChIInChI=1S/C14H24O4/c1-9(2,3)11(7)13(15-16-13)12(8,10(4,5)6)14(11)17-18-14/h1-8H3
InChIKeyJUTLKPCWGHNLTG-UHFFFAOYSA-N
XLogP3.42
TPSA50.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-6,10,10-trimethyl-2,3,8,9-tetraoxatricyclo[5.2.1.01,4]decane
CID 141018993
(4S)-4-tert-butyl-2,2-dimethyloxolane
CID 59883974
4-tert-butyl-1,2,2,3,3,4,5,5,6,6-decamethylcyclohexan-1-ol
CID 121286721
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
sodium;iron;3-methyldioxiran-3-olate
CID 174549643
3,3,6,6-tetramethyl-1,2,4,5-tetraoxane
CID 536100
1,2-ditert-butyl-1-methylcyclopropane
CID 58388728
bis((4S,5R)-4,5-ditert-butyl-2,2-dimethyl-1,3-dioxolane);(4R,5R)-4,5-ditert-butyl-2,2-dimethyl-1,3-dioxolane;(4S,5S)-4,5-ditert-butyl-2,2-dimethyl-1,3-dioxolane;methane
CID 157204706
2,5-ditert-butyl-2,3,3,4,4,5-hexamethyloxolane;ethane;methane
CID 159778218
(1S,3R,5R,7S)-1,7-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octane
CID 98095280
2-(3,3-dimethyloxiran-2-yl)propan-2-ol
CID 139369410
N-tert-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine
CID 121450520

Frequently Asked Questions

What is the IUPAC name of 4,8-ditert-butyl-4,8-dimethyl-1,2,6,7-tetraoxadispiro[2.1.25.13]octane?
The IUPAC name of 4,8-ditert-butyl-4,8-dimethyl-1,2,6,7-tetraoxadispiro[2.1.25.13]octane (CID 101147519) is 4,8-ditert-butyl-4,8-dimethyl-1,2,6,7-tetraoxadispiro[2.1.25.13]octane.
What is the SMILES notation for 4,8-ditert-butyl-4,8-dimethyl-1,2,6,7-tetraoxadispiro[2.1.25.13]octane?
The canonical SMILES for 4,8-ditert-butyl-4,8-dimethyl-1,2,6,7-tetraoxadispiro[2.1.25.13]octane is CC(C)(C)C1(C)C2(OO2)C(C)(C(C)(C)C)C12OO2.
What is the InChIKey of 4,8-ditert-butyl-4,8-dimethyl-1,2,6,7-tetraoxadispiro[2.1.25.13]octane?
The InChIKey is JUTLKPCWGHNLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-9(2,3)11(7)13(15-16-13)12(8,10(4,5)6)14(11)17-18-14/h1-8H3.
What are the key properties of 4,8-ditert-butyl-4,8-dimethyl-1,2,6,7-tetraoxadispiro[2.1.25.13]octane?
4,8-ditert-butyl-4,8-dimethyl-1,2,6,7-tetraoxadispiro[2.1.25.13]octane has a molecular weight of 256.34 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-ditert-butyl-4,8-dimethyl-1,2,6,7-tetraoxadispiro[2.1.25.13]octane is sourced from PubChem (CID 101147519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).