(1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-diene-4,11-dione

C28H31NO4Si — CID 11540114

IUPAC(1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-diene-4,11-dione
SMILESCC(C)(C)[Si](OC[C@H]1C=CC2=CC(=O)O[C@H]2[C@H]2CCC(=O)N12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31NO4Si/c1-28(2,3)34(22-10-6-4-7-11-22,23-12-8-5-9-13-23)32-19-21-15-14-20-18-26(31)33-27(20)24-16-17-25(30)29(21)24/h4-15,18,21,24,27H,16-17,19H2,1-3H3/t21-,24-,27-/m1/s1
InChIKeyXSTQINOIPJFBPV-GNMGOMLTSA-N
MW473.65 g/mol
LogP3.34
Rot. Bonds5

About (1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-diene-4,11-dione

(1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-diene-4,11-dione (PubChem CID 11540114) has the molecular formula C28H31NO4Si and a molecular weight of 473.65 g/mol. Its IUPAC name is (1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-diene-4,11-dione.

Molecular Properties

Compound Name(1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-diene-4,11-dione
PubChem CID11540114
Molecular FormulaC28H31NO4Si
Molecular Weight473.65 g/mol
Exact Mass473.20
IUPAC Name(1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-diene-4,11-dione
SMILESCC(C)(C)[Si](OC[C@H]1C=CC2=CC(=O)O[C@H]2[C@H]2CCC(=O)N12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31NO4Si/c1-28(2,3)34(22-10-6-4-7-11-22,23-12-8-5-9-13-23)32-19-21-15-14-20-18-26(31)33-27(20)24-16-17-25(30)29(21)24/h4-15,18,21,24,27H,16-17,19H2,1-3H3/t21-,24-,27-/m1/s1
InChIKeyXSTQINOIPJFBPV-GNMGOMLTSA-N
XLogP3.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.65
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-diene-4,11-dione with MolForge

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Related Compounds

(5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one
CID 11713074
(5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one
CID 134848013
(1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-dien-4-one
CID 11496292
methyl (2R,5S)-2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-5-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
CID 11827746
(6R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-6-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]piperidin-2-one
CID 44238493
(1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-diene-4,11-dione
CID 44238637
(6S)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-6-[(2S)-3-ethenyl-5-oxo-2H-furan-2-yl]piperidin-2-one
CID 44239182
(1S,2S,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-diene-4,11-dione
CID 44239183
(5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidin-2-one
CID 101488792
(1R,2S,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.4.0.02,6]tetradeca-5,7-diene-4,11-dione
CID 101488798

Frequently Asked Questions

What is the IUPAC name of (1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-diene-4,11-dione?
The IUPAC name of (1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-diene-4,11-dione (CID 11540114) is (1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-diene-4,11-dione.
What is the SMILES notation for (1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-diene-4,11-dione?
The canonical SMILES for (1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-diene-4,11-dione is CC(C)(C)[Si](OC[C@H]1C=CC2=CC(=O)O[C@H]2[C@H]2CCC(=O)N12)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-diene-4,11-dione?
The InChIKey is XSTQINOIPJFBPV-GNMGOMLTSA-N. The full InChI is InChI=1S/C28H31NO4Si/c1-28(2,3)34(22-10-6-4-7-11-22,23-12-8-5-9-13-23)32-19-21-15-14-20-18-26(31)33-27(20)24-16-17-25(30)29(21)24/h4-15,18,21,24,27H,16-17,19H2,1-3H3/t21-,24-,27-/m1/s1.
What are the key properties of (1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-diene-4,11-dione?
(1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-diene-4,11-dione has a molecular weight of 473.65 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-diene-4,11-dione is sourced from PubChem (CID 11540114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).