4-tert-butyl-6,10,10-trimethyl-2,3,8,9-tetraoxatricyclo[5.2.1.01,4]decane

C13H22O4 — CID 141018993

IUPAC4-tert-butyl-6,10,10-trimethyl-2,3,8,9-tetraoxatricyclo[5.2.1.01,4]decane
SMILESCC1CC2(C(C)(C)C)OOC23OOC1C3(C)C
InChIInChI=1S/C13H22O4/c1-8-7-12(10(2,3)4)13(17-15-12)11(5,6)9(8)14-16-13/h8-9H,7H2,1-6H3
InChIKeyCECDHGKKEPJFBZ-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.83
Rot. Bonds

About 4-tert-butyl-6,10,10-trimethyl-2,3,8,9-tetraoxatricyclo[5.2.1.01,4]decane

4-tert-butyl-6,10,10-trimethyl-2,3,8,9-tetraoxatricyclo[5.2.1.01,4]decane (PubChem CID 141018993) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 4-tert-butyl-6,10,10-trimethyl-2,3,8,9-tetraoxatricyclo[5.2.1.01,4]decane.

Molecular Properties

Compound Name4-tert-butyl-6,10,10-trimethyl-2,3,8,9-tetraoxatricyclo[5.2.1.01,4]decane
PubChem CID141018993
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name4-tert-butyl-6,10,10-trimethyl-2,3,8,9-tetraoxatricyclo[5.2.1.01,4]decane
SMILESCC1CC2(C(C)(C)C)OOC23OOC1C3(C)C
InChIInChI=1S/C13H22O4/c1-8-7-12(10(2,3)4)13(17-15-12)11(5,6)9(8)14-16-13/h8-9H,7H2,1-6H3
InChIKeyCECDHGKKEPJFBZ-UHFFFAOYSA-N
XLogP2.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,8-ditert-butyl-4,8-dimethyl-1,2,6,7-tetraoxadispiro[2.1.25.13]octane
CID 101147519
4,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxastibinane
CID 86101784
(1S,3R,5R,7S)-1,7-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octane
CID 98095280
(4S)-4-tert-butyl-2,2-dimethyloxolane
CID 59883974
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
(5R)-4-(3-fluoro-2,3-dimethylbutan-2-yl)-1,1,2,5-tetramethylcyclohexane
CID 174179063
(7S)-1,4,4,7,9-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane
CID 144570221
3,5,5-trimethyloxolane-2-carbaldehyde
CID 20674729
(4R,5S)-1,2,2,5-tetramethylpiperidin-4-ol
CID 7282558
trans-(2S,6S)-4-[2-[(3R,5S)-4-amino-3,5-dimethylcyclohexyl]propan-2-yl]-2,6-dimethylcyclohexan-1-amine
CID 124927273
1,1,2,2-tetramethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
CID 126576854
1,1,2,2,3,4,5-heptamethylcyclohexane
CID 91092757

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6,10,10-trimethyl-2,3,8,9-tetraoxatricyclo[5.2.1.01,4]decane?
The IUPAC name of 4-tert-butyl-6,10,10-trimethyl-2,3,8,9-tetraoxatricyclo[5.2.1.01,4]decane (CID 141018993) is 4-tert-butyl-6,10,10-trimethyl-2,3,8,9-tetraoxatricyclo[5.2.1.01,4]decane.
What is the SMILES notation for 4-tert-butyl-6,10,10-trimethyl-2,3,8,9-tetraoxatricyclo[5.2.1.01,4]decane?
The canonical SMILES for 4-tert-butyl-6,10,10-trimethyl-2,3,8,9-tetraoxatricyclo[5.2.1.01,4]decane is CC1CC2(C(C)(C)C)OOC23OOC1C3(C)C.
What is the InChIKey of 4-tert-butyl-6,10,10-trimethyl-2,3,8,9-tetraoxatricyclo[5.2.1.01,4]decane?
The InChIKey is CECDHGKKEPJFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-8-7-12(10(2,3)4)13(17-15-12)11(5,6)9(8)14-16-13/h8-9H,7H2,1-6H3.
What are the key properties of 4-tert-butyl-6,10,10-trimethyl-2,3,8,9-tetraoxatricyclo[5.2.1.01,4]decane?
4-tert-butyl-6,10,10-trimethyl-2,3,8,9-tetraoxatricyclo[5.2.1.01,4]decane has a molecular weight of 242.31 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6,10,10-trimethyl-2,3,8,9-tetraoxatricyclo[5.2.1.01,4]decane is sourced from PubChem (CID 141018993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).