2,2-dimethyl-5-trityl-1,3-dioxane

C25H26O2 — CID 91403138

IUPAC2,2-dimethyl-5-trityl-1,3-dioxane
SMILESCC1(C)OCC(C(c2ccccc2)(c2ccccc2)c2ccccc2)CO1
InChIInChI=1S/C25H26O2/c1-24(2)26-18-23(19-27-24)25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23H,18-19H2,1-2H3
InChIKeyNXXYMAYYWKSKKQ-UHFFFAOYSA-N
MW358.48 g/mol
LogP5.42
Rot. Bonds4

About 2,2-dimethyl-5-trityl-1,3-dioxane

2,2-dimethyl-5-trityl-1,3-dioxane (PubChem CID 91403138) has the molecular formula C25H26O2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2,2-dimethyl-5-trityl-1,3-dioxane.

Molecular Properties

Compound Name2,2-dimethyl-5-trityl-1,3-dioxane
PubChem CID91403138
Molecular FormulaC25H26O2
Molecular Weight358.48 g/mol
Exact Mass358.19
IUPAC Name2,2-dimethyl-5-trityl-1,3-dioxane
SMILESCC1(C)OCC(C(c2ccccc2)(c2ccccc2)c2ccccc2)CO1
InChIInChI=1S/C25H26O2/c1-24(2)26-18-23(19-27-24)25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23H,18-19H2,1-2H3
InChIKeyNXXYMAYYWKSKKQ-UHFFFAOYSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2,4,6-Tribenzyl-1,3,5-trioxane
CID 11970644
Cyclohexaneorthocarboxylic acid, cyclic ester with 2-(hydroxymethyl)-2-phenyl-1,3-propanediol
CID 175723
2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(phenylmethyl)-
CID 175765
5,5-Dimethyl-2-(1-phenylethyl)-1,3-dioxane
CID 97791
4,4-Bis-(2-butyl-octyloxy)-p-quaterphenyl
CID 67333806
1,3-Dioxane, 2,5-dimethyl-5-phenyl-
CID 80394
1,3-Dioxane, 2,2,5-trimethyl-5-phenyl-
CID 112183
7,9,11-Trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-8-ene
CID 2855152
2,6,7-Trioxabicyclo[2.2.2]octane, 4-methyl-1-(2-phenylethyl)-
CID 11746580
Diphenylacetaldehyde diethylacetal
CID 11747648
5-Ethyl 2,2-dibenzyl-5-methyl-1,3-dioxane
CID 15363612
3,15-Diphenyl-7,11,18,21-tetraoxatrispiro[5.2.2.5.2.2]henicosane
CID 21603905

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-trityl-1,3-dioxane?
The IUPAC name of 2,2-dimethyl-5-trityl-1,3-dioxane (CID 91403138) is 2,2-dimethyl-5-trityl-1,3-dioxane.
What is the SMILES notation for 2,2-dimethyl-5-trityl-1,3-dioxane?
The canonical SMILES for 2,2-dimethyl-5-trityl-1,3-dioxane is CC1(C)OCC(C(c2ccccc2)(c2ccccc2)c2ccccc2)CO1.
What is the InChIKey of 2,2-dimethyl-5-trityl-1,3-dioxane?
The InChIKey is NXXYMAYYWKSKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O2/c1-24(2)26-18-23(19-27-24)25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23H,18-19H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-trityl-1,3-dioxane?
2,2-dimethyl-5-trityl-1,3-dioxane has a molecular weight of 358.48 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-trityl-1,3-dioxane is sourced from PubChem (CID 91403138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).