2-tert-butyl-2-methyl-4,5-diphenyl-1,3-dioxolane

C20H24O2 — CID 558480

IUPAC2-tert-butyl-2-methyl-4,5-diphenyl-1,3-dioxolane
SMILESCC(C)(C)C1(C)OC(c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C20H24O2/c1-19(2,3)20(4)21-17(15-11-7-5-8-12-15)18(22-20)16-13-9-6-10-14-16/h5-14,17-18H,1-4H3
InChIKeyMZBKMCHOGMNZHT-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.28
Rot. Bonds2

About 2-tert-butyl-2-methyl-4,5-diphenyl-1,3-dioxolane

2-tert-butyl-2-methyl-4,5-diphenyl-1,3-dioxolane (PubChem CID 558480) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-tert-butyl-2-methyl-4,5-diphenyl-1,3-dioxolane.

Molecular Properties

Compound Name2-tert-butyl-2-methyl-4,5-diphenyl-1,3-dioxolane
PubChem CID558480
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name2-tert-butyl-2-methyl-4,5-diphenyl-1,3-dioxolane
SMILESCC(C)(C)C1(C)OC(c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C20H24O2/c1-19(2,3)20(4)21-17(15-11-7-5-8-12-15)18(22-20)16-13-9-6-10-14-16/h5-14,17-18H,1-4H3
InChIKeyMZBKMCHOGMNZHT-UHFFFAOYSA-N
XLogP5.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzaldehyde propylene glycol acetal
CID 595928
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
Bis(1-phenylethyl) ether
CID 62342
2,2-Diphenyltetrahydrofuran
CID 70175
2-Phenyl-1,3-dioxolane
CID 70293
2,5,5-Trimethyl-2-phenyl-1,3-dioxane
CID 79409
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119
1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-
CID 3034278
Sdz 51641
CID 146329
2,4,6-Triphenyl-1,3-dioxane
CID 568919
1,3-Dioxolane-4-methanol, 2-methyl-2-phenyl-
CID 20371
4-Methylbenzaldehyde propyleneglycol acetal
CID 94001

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-methyl-4,5-diphenyl-1,3-dioxolane?
The IUPAC name of 2-tert-butyl-2-methyl-4,5-diphenyl-1,3-dioxolane (CID 558480) is 2-tert-butyl-2-methyl-4,5-diphenyl-1,3-dioxolane.
What is the SMILES notation for 2-tert-butyl-2-methyl-4,5-diphenyl-1,3-dioxolane?
The canonical SMILES for 2-tert-butyl-2-methyl-4,5-diphenyl-1,3-dioxolane is CC(C)(C)C1(C)OC(c2ccccc2)C(c2ccccc2)O1.
What is the InChIKey of 2-tert-butyl-2-methyl-4,5-diphenyl-1,3-dioxolane?
The InChIKey is MZBKMCHOGMNZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-19(2,3)20(4)21-17(15-11-7-5-8-12-15)18(22-20)16-13-9-6-10-14-16/h5-14,17-18H,1-4H3.
What are the key properties of 2-tert-butyl-2-methyl-4,5-diphenyl-1,3-dioxolane?
2-tert-butyl-2-methyl-4,5-diphenyl-1,3-dioxolane has a molecular weight of 296.41 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-methyl-4,5-diphenyl-1,3-dioxolane is sourced from PubChem (CID 558480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).