(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[2-[[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxolan-3-yl]methyl]prop-2-enyl]oxolan-2-one

C46H56O6Si2 — CID 15237838

IUPAC(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[2-[[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxolan-3-yl]methyl]prop-2-enyl]oxolan-2-one
SMILESC=C(C[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O)C[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O
InChIInChI=1S/C46H56O6Si2/c1-34(28-35-30-37(51-43(35)47)32-49-53(45(2,3)4,39-20-12-8-13-21-39)40-22-14-9-15-23-40)29-36-31-38(52-44(36)48)33-50-54(46(5,6)7,41-24-16-10-17-25-41)42-26-18-11-19-27-42/h8-27,35-38H,1,28-33H2,2-7H3/t35-,36-,37+,38+/m1/s1
InChIKeyKEMHNOPOCJOLJW-RNATXAOGSA-N
MW761.12 g/mol
LogP7.34
Rot. Bonds14

About (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[2-[[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxolan-3-yl]methyl]prop-2-enyl]oxolan-2-one

(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[2-[[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxolan-3-yl]methyl]prop-2-enyl]oxolan-2-one (PubChem CID 15237838) has the molecular formula C46H56O6Si2 and a molecular weight of 761.12 g/mol. Its IUPAC name is (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[2-[[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxolan-3-yl]methyl]prop-2-enyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[2-[[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxolan-3-yl]methyl]prop-2-enyl]oxolan-2-one
PubChem CID15237838
Molecular FormulaC46H56O6Si2
Molecular Weight761.12 g/mol
Exact Mass760.36
IUPAC Name(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[2-[[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxolan-3-yl]methyl]prop-2-enyl]oxolan-2-one
SMILESC=C(C[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O)C[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O
InChIInChI=1S/C46H56O6Si2/c1-34(28-35-30-37(51-43(35)47)32-49-53(45(2,3)4,39-20-12-8-13-21-39)40-22-14-9-15-23-40)29-36-31-38(52-44(36)48)33-50-54(46(5,6)7,41-24-16-10-17-25-41)42-26-18-11-19-27-42/h8-27,35-38H,1,28-33H2,2-7H3/t35-,36-,37+,38+/m1/s1
InChIKeyKEMHNOPOCJOLJW-RNATXAOGSA-N
XLogP7.34
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.12
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[2-[[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxolan-3-yl]methyl]prop-2-enyl]oxolan-2-one?
The IUPAC name of (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[2-[[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxolan-3-yl]methyl]prop-2-enyl]oxolan-2-one (CID 15237838) is (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[2-[[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxolan-3-yl]methyl]prop-2-enyl]oxolan-2-one.
What is the SMILES notation for (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[2-[[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxolan-3-yl]methyl]prop-2-enyl]oxolan-2-one?
The canonical SMILES for (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[2-[[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxolan-3-yl]methyl]prop-2-enyl]oxolan-2-one is C=C(C[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O)C[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O.
What is the InChIKey of (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[2-[[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxolan-3-yl]methyl]prop-2-enyl]oxolan-2-one?
The InChIKey is KEMHNOPOCJOLJW-RNATXAOGSA-N. The full InChI is InChI=1S/C46H56O6Si2/c1-34(28-35-30-37(51-43(35)47)32-49-53(45(2,3)4,39-20-12-8-13-21-39)40-22-14-9-15-23-40)29-36-31-38(52-44(36)48)33-50-54(46(5,6)7,41-24-16-10-17-25-41)42-26-18-11-19-27-42/h8-27,35-38H,1,28-33H2,2-7H3/t35-,36-,37+,38+/m1/s1.
What are the key properties of (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[2-[[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxolan-3-yl]methyl]prop-2-enyl]oxolan-2-one?
(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[2-[[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxolan-3-yl]methyl]prop-2-enyl]oxolan-2-one has a molecular weight of 761.12 g/mol, XLogP of 7.34, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[2-[[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxolan-3-yl]methyl]prop-2-enyl]oxolan-2-one is sourced from PubChem (CID 15237838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).