4-(trityloxymethyl)trioxolane

C22H20O4 — CID 19758940

IUPAC4-(trityloxymethyl)trioxolane
SMILESc1ccc(C(OCC2COOO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20O4/c1-4-10-18(11-5-1)22(19-12-6-2-7-13-19,20-14-8-3-9-15-20)23-16-21-17-24-26-25-21/h1-15,21H,16-17H2
InChIKeyGMMKLGSUGCHWQG-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.26
Rot. Bonds6

About 4-(trityloxymethyl)trioxolane

4-(trityloxymethyl)trioxolane (PubChem CID 19758940) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-(trityloxymethyl)trioxolane.

Molecular Properties

Compound Name4-(trityloxymethyl)trioxolane
PubChem CID19758940
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name4-(trityloxymethyl)trioxolane
SMILESc1ccc(C(OCC2COOO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20O4/c1-4-10-18(11-5-1)22(19-12-6-2-7-13-19,20-14-8-3-9-15-20)23-16-21-17-24-26-25-21/h1-15,21H,16-17H2
InChIKeyGMMKLGSUGCHWQG-UHFFFAOYSA-N
XLogP4.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(trityloxymethyl)trioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
5-(trityloxymethyl)-1,3-oxazolidin-2-one
CID 10109102
(2R)-2-(2-trityloxyethoxymethyl)oxirane
CID 150655953
(3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one
CID 15478722
(2S,3S,5S)-3-fluoro-5-(trityloxymethyl)oxolan-2-ol
CID 14859660
2-(trityloxymethyl)oxane-3,4,5-triol
CID 73104798
(2S,3R,4R)-2-(trityloxymethyl)oxolane-3,4-diol
CID 101240446
2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane
CID 58690199
(3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one
CID 102593831
(2R,6R)-2-methoxy-6-(trityloxymethyl)oxane
CID 56627536
(5R)-3,3-difluoro-5-(trityloxymethyl)oxolan-2-ol
CID 123952191
(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 178184681

Frequently Asked Questions

What is the IUPAC name of 4-(trityloxymethyl)trioxolane?
The IUPAC name of 4-(trityloxymethyl)trioxolane (CID 19758940) is 4-(trityloxymethyl)trioxolane.
What is the SMILES notation for 4-(trityloxymethyl)trioxolane?
The canonical SMILES for 4-(trityloxymethyl)trioxolane is c1ccc(C(OCC2COOO2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(trityloxymethyl)trioxolane?
The InChIKey is GMMKLGSUGCHWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-4-10-18(11-5-1)22(19-12-6-2-7-13-19,20-14-8-3-9-15-20)23-16-21-17-24-26-25-21/h1-15,21H,16-17H2.
What are the key properties of 4-(trityloxymethyl)trioxolane?
4-(trityloxymethyl)trioxolane has a molecular weight of 348.40 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trityloxymethyl)trioxolane is sourced from PubChem (CID 19758940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).