methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylate

C33H39NO5Si — CID 171567960

IUPACmethyl 4-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylate
SMILESCOC(=O)C12CC1C(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC2N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C33H39NO5Si/c1-32(2,3)40(25-17-11-7-12-18-25,26-19-13-8-14-20-26)39-28-21-29(33(22-27(28)33)30(35)37-5)34(4)31(36)38-23-24-15-9-6-10-16-24/h6-20,27-29H,21-23H2,1-5H3
InChIKeyMYHYPPCNWBNBJE-UHFFFAOYSA-N
MW557.76 g/mol
LogP5.15
Rot. Bonds8

About methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylate

methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylate (PubChem CID 171567960) has the molecular formula C33H39NO5Si and a molecular weight of 557.76 g/mol. Its IUPAC name is methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylate
PubChem CID171567960
Molecular FormulaC33H39NO5Si
Molecular Weight557.76 g/mol
Exact Mass557.26
IUPAC Namemethyl 4-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylate
SMILESCOC(=O)C12CC1C(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC2N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C33H39NO5Si/c1-32(2,3)40(25-17-11-7-12-18-25,26-19-13-8-14-20-26)39-28-21-29(33(22-27(28)33)30(35)37-5)34(4)31(36)38-23-24-15-9-6-10-16-24/h6-20,27-29H,21-23H2,1-5H3
InChIKeyMYHYPPCNWBNBJE-UHFFFAOYSA-N
XLogP5.15
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.76
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylate with MolForge

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Related Compounds

methyl (1S,3R,4R,5S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methylbicyclo[3.1.0]hexane-1-carboxylate
CID 11625671
benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate
CID 58777440
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 158253839
benzyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 10719847
benzyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4-(1,3-dioxoisoindol-2-yl)cyclopentyl]carbamate
CID 142544416
cis-methyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 58715061
methyl 3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 21062599
2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde
CID 171085563
1-O-benzyl 3-O-methyl (3S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpiperidine-1,3-dicarboxylate
CID 140831183
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethylcarbamoyl)pyrrolidine-1-carboxylate
CID 142683565

Frequently Asked Questions

What is the IUPAC name of methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylate?
The IUPAC name of methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylate (CID 171567960) is methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylate.
What is the SMILES notation for methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylate?
The canonical SMILES for methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylate is COC(=O)C12CC1C(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC2N(C)C(=O)OCc1ccccc1.
What is the InChIKey of methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylate?
The InChIKey is MYHYPPCNWBNBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39NO5Si/c1-32(2,3)40(25-17-11-7-12-18-25,26-19-13-8-14-20-26)39-28-21-29(33(22-27(28)33)30(35)37-5)34(4)31(36)38-23-24-15-9-6-10-16-24/h6-20,27-29H,21-23H2,1-5H3.
What are the key properties of methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylate?
methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylate has a molecular weight of 557.76 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]bicyclo[3.1.0]hexane-1-carboxylate is sourced from PubChem (CID 171567960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).