5-[4-oxo-2-(trityloxymethyl)oxolan-3-yl]-4-(trityloxymethyl)oxolan-2-one

C48H42O6 — CID 91056083

IUPAC5-[4-oxo-2-(trityloxymethyl)oxolan-3-yl]-4-(trityloxymethyl)oxolan-2-one
SMILESO=C1CC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(C2C(=O)COC2COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C48H42O6/c49-42-33-51-43(34-53-48(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41)45(42)46-35(31-44(50)54-46)32-52-47(36-19-7-1-8-20-36,37-21-9-2-10-22-37)38-23-11-3-12-24-38/h1-30,35,43,45-46H,31-34H2
InChIKeyMGYIHYLXGGTTCW-UHFFFAOYSA-N
MW714.86 g/mol
LogP8.52
Rot. Bonds13

About 5-[4-oxo-2-(trityloxymethyl)oxolan-3-yl]-4-(trityloxymethyl)oxolan-2-one

5-[4-oxo-2-(trityloxymethyl)oxolan-3-yl]-4-(trityloxymethyl)oxolan-2-one (PubChem CID 91056083) has the molecular formula C48H42O6 and a molecular weight of 714.86 g/mol. Its IUPAC name is 5-[4-oxo-2-(trityloxymethyl)oxolan-3-yl]-4-(trityloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name5-[4-oxo-2-(trityloxymethyl)oxolan-3-yl]-4-(trityloxymethyl)oxolan-2-one
PubChem CID91056083
Molecular FormulaC48H42O6
Molecular Weight714.86 g/mol
Exact Mass714.30
IUPAC Name5-[4-oxo-2-(trityloxymethyl)oxolan-3-yl]-4-(trityloxymethyl)oxolan-2-one
SMILESO=C1CC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(C2C(=O)COC2COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C48H42O6/c49-42-33-51-43(34-53-48(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41)45(42)46-35(31-44(50)54-46)32-52-47(36-19-7-1-8-20-36,37-21-9-2-10-22-37)38-23-11-3-12-24-38/h1-30,35,43,45-46H,31-34H2
InChIKeyMGYIHYLXGGTTCW-UHFFFAOYSA-N
XLogP8.52
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.86
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 11103625
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CID 11478229
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Frequently Asked Questions

What is the IUPAC name of 5-[4-oxo-2-(trityloxymethyl)oxolan-3-yl]-4-(trityloxymethyl)oxolan-2-one?
The IUPAC name of 5-[4-oxo-2-(trityloxymethyl)oxolan-3-yl]-4-(trityloxymethyl)oxolan-2-one (CID 91056083) is 5-[4-oxo-2-(trityloxymethyl)oxolan-3-yl]-4-(trityloxymethyl)oxolan-2-one.
What is the SMILES notation for 5-[4-oxo-2-(trityloxymethyl)oxolan-3-yl]-4-(trityloxymethyl)oxolan-2-one?
The canonical SMILES for 5-[4-oxo-2-(trityloxymethyl)oxolan-3-yl]-4-(trityloxymethyl)oxolan-2-one is O=C1CC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(C2C(=O)COC2COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of 5-[4-oxo-2-(trityloxymethyl)oxolan-3-yl]-4-(trityloxymethyl)oxolan-2-one?
The InChIKey is MGYIHYLXGGTTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42O6/c49-42-33-51-43(34-53-48(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41)45(42)46-35(31-44(50)54-46)32-52-47(36-19-7-1-8-20-36,37-21-9-2-10-22-37)38-23-11-3-12-24-38/h1-30,35,43,45-46H,31-34H2.
What are the key properties of 5-[4-oxo-2-(trityloxymethyl)oxolan-3-yl]-4-(trityloxymethyl)oxolan-2-one?
5-[4-oxo-2-(trityloxymethyl)oxolan-3-yl]-4-(trityloxymethyl)oxolan-2-one has a molecular weight of 714.86 g/mol, XLogP of 8.52, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-oxo-2-(trityloxymethyl)oxolan-3-yl]-4-(trityloxymethyl)oxolan-2-one is sourced from PubChem (CID 91056083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).