methyl 2-oxo-5-trityloxyoxolane-3-carboxylate

C25H22O5 — CID 138058793

IUPACmethyl 2-oxo-5-trityloxyoxolane-3-carboxylate
SMILESCOC(=O)C1CC(OC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1=O
InChIInChI=1S/C25H22O5/c1-28-23(26)21-17-22(29-24(21)27)30-25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-22H,17H2,1H3
InChIKeyAHMWCWMJLZPAFP-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.06
Rot. Bonds6

About methyl 2-oxo-5-trityloxyoxolane-3-carboxylate

methyl 2-oxo-5-trityloxyoxolane-3-carboxylate (PubChem CID 138058793) has the molecular formula C25H22O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is methyl 2-oxo-5-trityloxyoxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-5-trityloxyoxolane-3-carboxylate
PubChem CID138058793
Molecular FormulaC25H22O5
Molecular Weight402.45 g/mol
Exact Mass402.15
IUPAC Namemethyl 2-oxo-5-trityloxyoxolane-3-carboxylate
SMILESCOC(=O)C1CC(OC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1=O
InChIInChI=1S/C25H22O5/c1-28-23(26)21-17-22(29-24(21)27)30-25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-22H,17H2,1H3
InChIKeyAHMWCWMJLZPAFP-UHFFFAOYSA-N
XLogP4.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (5S)-2-oxo-5-phenyloxolane-3-carboxylate
CID 102111765
3-acetyl-5-phenoxyoxolan-2-one
CID 134975629
(2S)-2-trityloxyoxirane
CID 142635645
methyl 5-(hydroxymethyl)-2-oxooxolane-3-carboxylate
CID 75089899
methyl 5-(4-chlorophenyl)-2-oxooxolane-3-carboxylate
CID 10538912
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
methyl 2-oxo-3-phenylcyclopentane-1-carboxylate
CID 22173712
methyl 2-oxo-5-propyloxolane-3-carboxylate
CID 23093354
methyl (3R,5R)-5-(3,4-dimethoxyphenyl)-2-oxooxolane-3-carboxylate
CID 90662250
methyl (3R)-2-oxooxolane-3-carboxylate
CID 86310576
trans-methyl (1S,3S)-2-oxo-3-phenylcycloheptane-1-carboxylate
CID 129386150
methyl 2-oxo-5-phenylcyclohexane-1-carboxylate
CID 77230423

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-5-trityloxyoxolane-3-carboxylate?
The IUPAC name of methyl 2-oxo-5-trityloxyoxolane-3-carboxylate (CID 138058793) is methyl 2-oxo-5-trityloxyoxolane-3-carboxylate.
What is the SMILES notation for methyl 2-oxo-5-trityloxyoxolane-3-carboxylate?
The canonical SMILES for methyl 2-oxo-5-trityloxyoxolane-3-carboxylate is COC(=O)C1CC(OC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1=O.
What is the InChIKey of methyl 2-oxo-5-trityloxyoxolane-3-carboxylate?
The InChIKey is AHMWCWMJLZPAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O5/c1-28-23(26)21-17-22(29-24(21)27)30-25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-22H,17H2,1H3.
What are the key properties of methyl 2-oxo-5-trityloxyoxolane-3-carboxylate?
methyl 2-oxo-5-trityloxyoxolane-3-carboxylate has a molecular weight of 402.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-5-trityloxyoxolane-3-carboxylate is sourced from PubChem (CID 138058793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).