tert-butyl N-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[tert-butyl(diphenyl)silyl]oxyhept-6-en-2-yl]carbamate

C35H57NO4Si2 — CID 58011511

IUPACtert-butyl N-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[tert-butyl(diphenyl)silyl]oxyhept-6-en-2-yl]carbamate
SMILESC=CC[C@@H](CO[Si](C)(C)C(C)(C)C)CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C35H57NO4Si2/c1-13-20-28(26-38-41(11,12)34(5,6)7)25-29(36-32(37)40-33(2,3)4)27-39-42(35(8,9)10,30-21-16-14-17-22-30)31-23-18-15-19-24-31/h13-19,21-24,28-29H,1,20,25-27H2,2-12H3,(H,36,37)/t28-,29?/m1/s1
InChIKeyRVNFADADLYZHRZ-FICMROCWSA-N
MW612.02 g/mol
LogP8.06
Rot. Bonds13

About tert-butyl N-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[tert-butyl(diphenyl)silyl]oxyhept-6-en-2-yl]carbamate

tert-butyl N-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[tert-butyl(diphenyl)silyl]oxyhept-6-en-2-yl]carbamate (PubChem CID 58011511) has the molecular formula C35H57NO4Si2 and a molecular weight of 612.02 g/mol. Its IUPAC name is tert-butyl N-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[tert-butyl(diphenyl)silyl]oxyhept-6-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[tert-butyl(diphenyl)silyl]oxyhept-6-en-2-yl]carbamate
PubChem CID58011511
Molecular FormulaC35H57NO4Si2
Molecular Weight612.02 g/mol
Exact Mass611.38
IUPAC Nametert-butyl N-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[tert-butyl(diphenyl)silyl]oxyhept-6-en-2-yl]carbamate
SMILESC=CC[C@@H](CO[Si](C)(C)C(C)(C)C)CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C35H57NO4Si2/c1-13-20-28(26-38-41(11,12)34(5,6)7)25-29(36-32(37)40-33(2,3)4)27-39-42(35(8,9)10,30-21-16-14-17-22-30)31-23-18-15-19-24-31/h13-19,21-24,28-29H,1,20,25-27H2,2-12H3,(H,36,37)/t28-,29?/m1/s1
InChIKeyRVNFADADLYZHRZ-FICMROCWSA-N
XLogP8.06
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.02
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyheptadecan-2-yl]carbamate
CID 162651894
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(fluoromethyl)pentan-2-yl]carbamate
CID 12111289
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-3-methylbutan-2-yl]carbamate
CID 12111347
(S,E)-tert-Butyl 8-(tert-butyldiphenylsilyloxy)-2-methyloct-5-en-4-ylcarbamate
CID 58345823
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
tert-butyl N-[(2R,5S)-5-benzyl-6-[dimethyl(2-methylpentan-2-yl)silyl]oxy-3-fluoro-1-phenylhex-3-en-2-yl]carbamate
CID 54533546
tert-butyl N-[(Z,2R,5S)-5-benzyl-6-[dimethyl(2-methylpentan-2-yl)silyl]oxy-3-fluoro-1-phenylhex-3-en-2-yl]carbamate
CID 70365579
tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-yl]carbamate
CID 176319448
tert-butyl N-[(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trifluoro-3-(2-hydroxyethyl)hexan-2-yl]carbamate
CID 176319573
tert-butyl N-[3-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethyl]-5-fluoro-1-methylpiperidin-4-yl]carbamate
CID 178089350
tert-butyl N-[(4R,5S)-3-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethyl]-5-fluoro-1-methylpiperidin-4-yl]carbamate
CID 178089446
tert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-yl]carbamate
CID 10762291

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[tert-butyl(diphenyl)silyl]oxyhept-6-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[tert-butyl(diphenyl)silyl]oxyhept-6-en-2-yl]carbamate (CID 58011511) is tert-butyl N-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[tert-butyl(diphenyl)silyl]oxyhept-6-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[tert-butyl(diphenyl)silyl]oxyhept-6-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[tert-butyl(diphenyl)silyl]oxyhept-6-en-2-yl]carbamate is C=CC[C@@H](CO[Si](C)(C)C(C)(C)C)CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[tert-butyl(diphenyl)silyl]oxyhept-6-en-2-yl]carbamate?
The InChIKey is RVNFADADLYZHRZ-FICMROCWSA-N. The full InChI is InChI=1S/C35H57NO4Si2/c1-13-20-28(26-38-41(11,12)34(5,6)7)25-29(36-32(37)40-33(2,3)4)27-39-42(35(8,9)10,30-21-16-14-17-22-30)31-23-18-15-19-24-31/h13-19,21-24,28-29H,1,20,25-27H2,2-12H3,(H,36,37)/t28-,29?/m1/s1.
What are the key properties of tert-butyl N-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[tert-butyl(diphenyl)silyl]oxyhept-6-en-2-yl]carbamate?
tert-butyl N-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[tert-butyl(diphenyl)silyl]oxyhept-6-en-2-yl]carbamate has a molecular weight of 612.02 g/mol, XLogP of 8.06, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[tert-butyl(diphenyl)silyl]oxyhept-6-en-2-yl]carbamate is sourced from PubChem (CID 58011511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).