tert-butyl N-[(2S,6E)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(dimethylhydrazinylidene)nonan-2-yl]carbamate

C37H59N3O5Si — CID 134865038

IUPACtert-butyl N-[(2S,6E)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(dimethylhydrazinylidene)nonan-2-yl]carbamate
SMILESCN(C)/N=C(\CCC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C)CCC[C@H]1COC(C)(C)O1
InChIInChI=1S/C37H59N3O5Si/c1-35(2,3)45-34(41)38-30(21-17-19-29(39-40(9)10)20-18-22-31-28-42-37(7,8)44-31)27-43-46(36(4,5)6,32-23-13-11-14-24-32)33-25-15-12-16-26-33/h11-16,23-26,30-31H,17-22,27-28H2,1-10H3,(H,38,41)/b39-29+/t30-,31-/m0/s1
InChIKeyZAIAFQHQVFUIFO-WZQRSYNESA-N
MW653.98 g/mol
LogP6.87
Rot. Bonds15

About tert-butyl N-[(2S,6E)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(dimethylhydrazinylidene)nonan-2-yl]carbamate

tert-butyl N-[(2S,6E)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(dimethylhydrazinylidene)nonan-2-yl]carbamate (PubChem CID 134865038) has the molecular formula C37H59N3O5Si and a molecular weight of 653.98 g/mol. Its IUPAC name is tert-butyl N-[(2S,6E)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(dimethylhydrazinylidene)nonan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,6E)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(dimethylhydrazinylidene)nonan-2-yl]carbamate
PubChem CID134865038
Molecular FormulaC37H59N3O5Si
Molecular Weight653.98 g/mol
Exact Mass653.42
IUPAC Nametert-butyl N-[(2S,6E)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(dimethylhydrazinylidene)nonan-2-yl]carbamate
SMILESCN(C)/N=C(\CCC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C)CCC[C@H]1COC(C)(C)O1
InChIInChI=1S/C37H59N3O5Si/c1-35(2,3)45-34(41)38-30(21-17-19-29(39-40(9)10)20-18-22-31-28-42-37(7,8)44-31)27-43-46(36(4,5)6,32-23-13-11-14-24-32)33-25-15-12-16-26-33/h11-16,23-26,30-31H,17-22,27-28H2,1-10H3,(H,38,41)/b39-29+/t30-,31-/m0/s1
InChIKeyZAIAFQHQVFUIFO-WZQRSYNESA-N
XLogP6.87
TPSA81.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.98
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate
CID 162646706
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-oxononan-2-yl]carbamate
CID 134865010
tert-butyl N-[(2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-3-yl]carbamate
CID 69186485
tert-butyl N-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethyl]carbamate
CID 90339369
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-10-(2-methyl-1,3-dioxolan-2-yl)-5-oxodecan-2-yl]carbamate
CID 11215648

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,6E)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(dimethylhydrazinylidene)nonan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,6E)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(dimethylhydrazinylidene)nonan-2-yl]carbamate (CID 134865038) is tert-butyl N-[(2S,6E)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(dimethylhydrazinylidene)nonan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,6E)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(dimethylhydrazinylidene)nonan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,6E)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(dimethylhydrazinylidene)nonan-2-yl]carbamate is CN(C)/N=C(\CCC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C)CCC[C@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl N-[(2S,6E)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(dimethylhydrazinylidene)nonan-2-yl]carbamate?
The InChIKey is ZAIAFQHQVFUIFO-WZQRSYNESA-N. The full InChI is InChI=1S/C37H59N3O5Si/c1-35(2,3)45-34(41)38-30(21-17-19-29(39-40(9)10)20-18-22-31-28-42-37(7,8)44-31)27-43-46(36(4,5)6,32-23-13-11-14-24-32)33-25-15-12-16-26-33/h11-16,23-26,30-31H,17-22,27-28H2,1-10H3,(H,38,41)/b39-29+/t30-,31-/m0/s1.
What are the key properties of tert-butyl N-[(2S,6E)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(dimethylhydrazinylidene)nonan-2-yl]carbamate?
tert-butyl N-[(2S,6E)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(dimethylhydrazinylidene)nonan-2-yl]carbamate has a molecular weight of 653.98 g/mol, XLogP of 6.87, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,6E)-1-[tert-butyl(diphenyl)silyl]oxy-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(dimethylhydrazinylidene)nonan-2-yl]carbamate is sourced from PubChem (CID 134865038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).