5-(trityloxymethyl)oxolan-2-one

C24H22O3 — CID 618194

IUPAC5-(trityloxymethyl)oxolan-2-one
SMILESO=C1CCC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C24H22O3/c25-23-17-16-22(27-23)18-26-24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2
InChIKeyOZWWLABCDGFABG-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.70
Rot. Bonds6

About 5-(trityloxymethyl)oxolan-2-one

5-(trityloxymethyl)oxolan-2-one (PubChem CID 618194) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-(trityloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name5-(trityloxymethyl)oxolan-2-one
PubChem CID618194
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name5-(trityloxymethyl)oxolan-2-one
SMILESO=C1CCC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C24H22O3/c25-23-17-16-22(27-23)18-26-24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2
InChIKeyOZWWLABCDGFABG-UHFFFAOYSA-N
XLogP4.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.70
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-(trityloxymethyl)oxolan-2-one?
The IUPAC name of 5-(trityloxymethyl)oxolan-2-one (CID 618194) is 5-(trityloxymethyl)oxolan-2-one.
What is the SMILES notation for 5-(trityloxymethyl)oxolan-2-one?
The canonical SMILES for 5-(trityloxymethyl)oxolan-2-one is O=C1CCC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of 5-(trityloxymethyl)oxolan-2-one?
The InChIKey is OZWWLABCDGFABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3/c25-23-17-16-22(27-23)18-26-24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2.
What are the key properties of 5-(trityloxymethyl)oxolan-2-one?
5-(trityloxymethyl)oxolan-2-one has a molecular weight of 358.44 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trityloxymethyl)oxolan-2-one is sourced from PubChem (CID 618194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).