tert-butyl N-[(1S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-yl]-N-methylcarbamate

C24H41NO3Si — CID 25169627

IUPACtert-butyl N-[(1S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-yl]-N-methylcarbamate
SMILESC=CC[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C24H41NO3Si/c1-11-15-20(25(8)22(26)27-23(2,3)4)18-21(19-16-13-12-14-17-19)28-29(9,10)24(5,6)7/h11-14,16-17,20-21H,1,15,18H2,2-10H3/t20-,21+/m1/s1
InChIKeyRNSUHVBKIFRFIZ-RTWAWAEBSA-N
MW419.68 g/mol
LogP6.95
Rot. Bonds8

About tert-butyl N-[(1S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-yl]-N-methylcarbamate

tert-butyl N-[(1S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-yl]-N-methylcarbamate (PubChem CID 25169627) has the molecular formula C24H41NO3Si and a molecular weight of 419.68 g/mol. Its IUPAC name is tert-butyl N-[(1S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-yl]-N-methylcarbamate
PubChem CID25169627
Molecular FormulaC24H41NO3Si
Molecular Weight419.68 g/mol
Exact Mass419.29
IUPAC Nametert-butyl N-[(1S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-yl]-N-methylcarbamate
SMILESC=CC[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C24H41NO3Si/c1-11-15-20(25(8)22(26)27-23(2,3)4)18-21(19-16-13-12-14-17-19)28-29(9,10)24(5,6)7/h11-14,16-17,20-21H,1,15,18H2,2-10H3/t20-,21+/m1/s1
InChIKeyRNSUHVBKIFRFIZ-RTWAWAEBSA-N
XLogP6.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.68
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[3-(dimethylamino)-6-hydroxy-6-phenylhexyl] N,N-dimethylcarbamate
CID 122189552
tert-butyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11392581
[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl] N,N-di(propan-2-yl)carbamate
CID 11279911
tert-Butyl 3-hydroxy-3-phenylpropyl(methyl)carbamate
CID 10683119
tert-butyl (2S)-2-[(2R)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11415500
tert-butyl N-decyl-N-phenylmethoxycarbamate
CID 14227180
tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate
CID 58420082
(r)-N-boc-N-methyl-3-hydroxy-3-phenyl-propylamine
CID 69648269
BenZyl 4-[(t-butyldimethylsilyl)oxy]piperidine-1-carboxylate
CID 101381363
Benzyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidine-1-carboxylate
CID 90151320
tert-butyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 123227077
Benzyl 4-triethylsilyloxy-4-(trifluoromethyl)piperidine-1-carboxylate
CID 142602887

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(1S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-yl]-N-methylcarbamate (CID 25169627) is tert-butyl N-[(1S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(1S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(1S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-yl]-N-methylcarbamate is C=CC[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-yl]-N-methylcarbamate?
The InChIKey is RNSUHVBKIFRFIZ-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H41NO3Si/c1-11-15-20(25(8)22(26)27-23(2,3)4)18-21(19-16-13-12-14-17-19)28-29(9,10)24(5,6)7/h11-14,16-17,20-21H,1,15,18H2,2-10H3/t20-,21+/m1/s1.
What are the key properties of tert-butyl N-[(1S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-yl]-N-methylcarbamate?
tert-butyl N-[(1S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-yl]-N-methylcarbamate has a molecular weight of 419.68 g/mol, XLogP of 6.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-yl]-N-methylcarbamate is sourced from PubChem (CID 25169627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).