5-trityloxy-1,3-dioxane

C23H22O3 — CID 134836502

IUPAC5-trityloxy-1,3-dioxane
SMILESc1ccc(C(OC2COCOC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22O3/c1-4-10-19(11-5-1)23(20-12-6-2-7-13-20,21-14-8-3-9-15-21)26-22-16-24-18-25-17-22/h1-15,22H,16-18H2
InChIKeyKQZAQWOPVDQJPW-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.37
Rot. Bonds5

About 5-trityloxy-1,3-dioxane

5-trityloxy-1,3-dioxane (PubChem CID 134836502) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-trityloxy-1,3-dioxane.

Molecular Properties

Compound Name5-trityloxy-1,3-dioxane
PubChem CID134836502
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name5-trityloxy-1,3-dioxane
SMILESc1ccc(C(OC2COCOC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22O3/c1-4-10-19(11-5-1)23(20-12-6-2-7-13-20,21-14-8-3-9-15-21)26-22-16-24-18-25-17-22/h1-15,22H,16-18H2
InChIKeyKQZAQWOPVDQJPW-UHFFFAOYSA-N
XLogP4.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-trityloxy-1,3-dioxane?
The IUPAC name of 5-trityloxy-1,3-dioxane (CID 134836502) is 5-trityloxy-1,3-dioxane.
What is the SMILES notation for 5-trityloxy-1,3-dioxane?
The canonical SMILES for 5-trityloxy-1,3-dioxane is c1ccc(C(OC2COCOC2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-trityloxy-1,3-dioxane?
The InChIKey is KQZAQWOPVDQJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3/c1-4-10-19(11-5-1)23(20-12-6-2-7-13-20,21-14-8-3-9-15-21)26-22-16-24-18-25-17-22/h1-15,22H,16-18H2.
What are the key properties of 5-trityloxy-1,3-dioxane?
5-trityloxy-1,3-dioxane has a molecular weight of 346.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trityloxy-1,3-dioxane is sourced from PubChem (CID 134836502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).