3,3-bis(4-methylphenyl)-5,5-diphenyldioxolane

C29H26O2 — CID 14493901

IUPAC3,3-bis(4-methylphenyl)-5,5-diphenyldioxolane
SMILESCc1ccc(C2(c3ccc(C)cc3)CC(c3ccccc3)(c3ccccc3)OO2)cc1
InChIInChI=1S/C29H26O2/c1-22-13-17-26(18-14-22)29(27-19-15-23(2)16-20-27)21-28(30-31-29,24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-20H,21H2,1-2H3
InChIKeyQEIKLOFWEHNYKF-UHFFFAOYSA-N
MW406.53 g/mol
LogP6.84
Rot. Bonds4

About 3,3-bis(4-methylphenyl)-5,5-diphenyldioxolane

3,3-bis(4-methylphenyl)-5,5-diphenyldioxolane (PubChem CID 14493901) has the molecular formula C29H26O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3,3-bis(4-methylphenyl)-5,5-diphenyldioxolane.

Molecular Properties

Compound Name3,3-bis(4-methylphenyl)-5,5-diphenyldioxolane
PubChem CID14493901
Molecular FormulaC29H26O2
Molecular Weight406.53 g/mol
Exact Mass406.19
IUPAC Name3,3-bis(4-methylphenyl)-5,5-diphenyldioxolane
SMILESCc1ccc(C2(c3ccc(C)cc3)CC(c3ccccc3)(c3ccccc3)OO2)cc1
InChIInChI=1S/C29H26O2/c1-22-13-17-26(18-14-22)29(27-19-15-23(2)16-20-27)21-28(30-31-29,24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-20H,21H2,1-2H3
InChIKeyQEIKLOFWEHNYKF-UHFFFAOYSA-N
XLogP6.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,12,12-tetrakis(4-methylphenyl)-4,5,10,11-tetraoxatricyclo[7.4.0.01,6]tridecane-6,9-diol
CID 14983165
2-(4-methylphenyl)-2-phenyl-1,4-dioxane
CID 142902155
2,2-bis(4-methylphenyl)oxirane
CID 12692604
benzene;bis(1,4-xylene)
CID 159472747
1-methyl-1,3-bis(4-methylphenyl)-3-phenyl-2H-indene
CID 86216141
4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one
CID 70113074
radon;toluene;1,4-xylene
CID 174747246
2-methyl-12,12,16,16-tetrakis(4-methylphenyl)-13,14,15-trioxa-2-azatetracyclo[8.4.3.01,10.03,8]heptadeca-3,5,7-trien-9-one
CID 101272462
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-methylphenyl)-5,5-diphenyldioxolane?
The IUPAC name of 3,3-bis(4-methylphenyl)-5,5-diphenyldioxolane (CID 14493901) is 3,3-bis(4-methylphenyl)-5,5-diphenyldioxolane.
What is the SMILES notation for 3,3-bis(4-methylphenyl)-5,5-diphenyldioxolane?
The canonical SMILES for 3,3-bis(4-methylphenyl)-5,5-diphenyldioxolane is Cc1ccc(C2(c3ccc(C)cc3)CC(c3ccccc3)(c3ccccc3)OO2)cc1.
What is the InChIKey of 3,3-bis(4-methylphenyl)-5,5-diphenyldioxolane?
The InChIKey is QEIKLOFWEHNYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O2/c1-22-13-17-26(18-14-22)29(27-19-15-23(2)16-20-27)21-28(30-31-29,24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-20H,21H2,1-2H3.
What are the key properties of 3,3-bis(4-methylphenyl)-5,5-diphenyldioxolane?
3,3-bis(4-methylphenyl)-5,5-diphenyldioxolane has a molecular weight of 406.53 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-methylphenyl)-5,5-diphenyldioxolane is sourced from PubChem (CID 14493901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).