2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate

C41H43NO4Si — CID 70187793

IUPAC2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate
SMILESCC(C)(C)[Si](Oc1cccc2c1CC[C@@H](O)[C@@H]2CCOC(=O)N(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H43NO4Si/c1-41(2,3)47(33-21-12-6-13-22-33,34-23-14-7-15-24-34)46-39-26-16-25-35-36(38(43)28-27-37(35)39)29-30-45-40(44)42(31-17-8-4-9-18-31)32-19-10-5-11-20-32/h4-26,36,38,43H,27-30H2,1-3H3/t36-,38-/m1/s1
InChIKeyNZGUQJKGKJRZDL-XXKIVBBDSA-N
MW641.88 g/mol
LogP8.38
Rot. Bonds9

About 2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate

2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate (PubChem CID 70187793) has the molecular formula C41H43NO4Si and a molecular weight of 641.88 g/mol. Its IUPAC name is 2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate.

Molecular Properties

Compound Name2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate
PubChem CID70187793
Molecular FormulaC41H43NO4Si
Molecular Weight641.88 g/mol
Exact Mass641.30
IUPAC Name2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate
SMILESCC(C)(C)[Si](Oc1cccc2c1CC[C@@H](O)[C@@H]2CCOC(=O)N(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H43NO4Si/c1-41(2,3)47(33-21-12-6-13-22-33,34-23-14-7-15-24-34)46-39-26-16-25-35-36(38(43)28-27-37(35)39)29-30-45-40(44)42(31-17-8-4-9-18-31)32-19-10-5-11-20-32/h4-26,36,38,43H,27-30H2,1-3H3/t36-,38-/m1/s1
InChIKeyNZGUQJKGKJRZDL-XXKIVBBDSA-N
XLogP8.38
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.88
LogP ≤ 58.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate
CID 22467311
ethyl (1S,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 54371121
[1-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-5H-benzo[7]annulen-9-yl]methyl N,N-diphenylcarbamate
CID 57109599
ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate
CID 54011243
(5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane
CID 18367327
(1R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-ol
CID 124636580
CID 67597677
CID 67597677
tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane
CID 101450805
1-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxythiolan-1-ium-1-yl]ethanone
CID 172826315
tert-butyl-[(1-cyclopenta-1,4-dien-1-yl-1H-inden-4-yl)oxy]-diphenylsilane
CID 87787763
(4R)-4-[[(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-1-ol
CID 54421594
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid
CID 175419157

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate?
The IUPAC name of 2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate (CID 70187793) is 2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate.
What is the SMILES notation for 2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate?
The canonical SMILES for 2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate is CC(C)(C)[Si](Oc1cccc2c1CC[C@@H](O)[C@@H]2CCOC(=O)N(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate?
The InChIKey is NZGUQJKGKJRZDL-XXKIVBBDSA-N. The full InChI is InChI=1S/C41H43NO4Si/c1-41(2,3)47(33-21-12-6-13-22-33,34-23-14-7-15-24-34)46-39-26-16-25-35-36(38(43)28-27-37(35)39)29-30-45-40(44)42(31-17-8-4-9-18-31)32-19-10-5-11-20-32/h4-26,36,38,43H,27-30H2,1-3H3/t36-,38-/m1/s1.
What are the key properties of 2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate?
2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate has a molecular weight of 641.88 g/mol, XLogP of 8.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate is sourced from PubChem (CID 70187793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).