tert-butyl N-[(3S,4S,5R)-5-[dimethyl(phenyl)silyl]-5-hydroxy-3-methyloct-7-en-4-yl]carbamate

C22H37NO3Si — CID 10644193

IUPACtert-butyl N-[(3S,4S,5R)-5-[dimethyl(phenyl)silyl]-5-hydroxy-3-methyloct-7-en-4-yl]carbamate
SMILESC=CC[C@](O)([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H37NO3Si/c1-9-16-22(25,27(7,8)18-14-12-11-13-15-18)19(17(3)10-2)23-20(24)26-21(4,5)6/h9,11-15,17,19,25H,1,10,16H2,2-8H3,(H,23,24)/t17-,19-,22+/m0/s1
InChIKeyKDGDBUGKEZECKX-LQBOVUBWSA-N
MW391.63 g/mol
LogP4.39
Rot. Bonds8

About tert-butyl N-[(3S,4S,5R)-5-[dimethyl(phenyl)silyl]-5-hydroxy-3-methyloct-7-en-4-yl]carbamate

tert-butyl N-[(3S,4S,5R)-5-[dimethyl(phenyl)silyl]-5-hydroxy-3-methyloct-7-en-4-yl]carbamate (PubChem CID 10644193) has the molecular formula C22H37NO3Si and a molecular weight of 391.63 g/mol. Its IUPAC name is tert-butyl N-[(3S,4S,5R)-5-[dimethyl(phenyl)silyl]-5-hydroxy-3-methyloct-7-en-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4S,5R)-5-[dimethyl(phenyl)silyl]-5-hydroxy-3-methyloct-7-en-4-yl]carbamate
PubChem CID10644193
Molecular FormulaC22H37NO3Si
Molecular Weight391.63 g/mol
Exact Mass391.25
IUPAC Nametert-butyl N-[(3S,4S,5R)-5-[dimethyl(phenyl)silyl]-5-hydroxy-3-methyloct-7-en-4-yl]carbamate
SMILESC=CC[C@](O)([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H37NO3Si/c1-9-16-22(25,27(7,8)18-14-12-11-13-15-18)19(17(3)10-2)23-20(24)26-21(4,5)6/h9,11-15,17,19,25H,1,10,16H2,2-8H3,(H,23,24)/t17-,19-,22+/m0/s1
InChIKeyKDGDBUGKEZECKX-LQBOVUBWSA-N
XLogP4.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.63
LogP ≤ 54.39
H-Bond Donors ≤ 52
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

tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(fluoromethyl)pentan-2-yl]carbamate
CID 12111289
tert-butyl N-[(2S)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]carbamate
CID 153522773
tert-butyl N-[(2S,3S)-3-[dimethyl(phenyl)silyl]-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate
CID 10502512
tert-butyl N-[(2S,3R)-3-[dimethyl(phenyl)silyl]-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate
CID 10693689
tert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-yl]carbamate
CID 10762291
tert-butyl N-[(E,2S,3S)-3-[dimethyl(phenyl)silyl]-1-hydroxyoctadec-4-en-2-yl]carbamate
CID 11692084
tert-butyl N-[3-hydroxy-6-methyl-1-phenyl-3-(2-phenylethynyl)hept-1-yn-4-yl]carbamate
CID 60153297
(2s)-methyl N-[1-cinnamyl-2-(triisopropylsilyloxy)propyl]carbamate
CID 129826305
tert-butyl N-[(3S,4S,5S)-5-[dimethyl(phenyl)silyl]-5-hydroxy-3-methyloct-7-en-4-yl]carbamate
CID 134901139
tert-butyl N-[(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylpent-4-en-2-yl]carbamate
CID 134952663
tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylpentan-2-yl]carbamate
CID 138968584
tert-butyl N-[(4S,5R)-5-[dimethyl(phenyl)silyl]-5-hydroxy-3-methyloct-7-en-4-yl]carbamate
CID 139263756

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4S,5R)-5-[dimethyl(phenyl)silyl]-5-hydroxy-3-methyloct-7-en-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4S,5R)-5-[dimethyl(phenyl)silyl]-5-hydroxy-3-methyloct-7-en-4-yl]carbamate (CID 10644193) is tert-butyl N-[(3S,4S,5R)-5-[dimethyl(phenyl)silyl]-5-hydroxy-3-methyloct-7-en-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4S,5R)-5-[dimethyl(phenyl)silyl]-5-hydroxy-3-methyloct-7-en-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4S,5R)-5-[dimethyl(phenyl)silyl]-5-hydroxy-3-methyloct-7-en-4-yl]carbamate is C=CC[C@](O)([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(3S,4S,5R)-5-[dimethyl(phenyl)silyl]-5-hydroxy-3-methyloct-7-en-4-yl]carbamate?
The InChIKey is KDGDBUGKEZECKX-LQBOVUBWSA-N. The full InChI is InChI=1S/C22H37NO3Si/c1-9-16-22(25,27(7,8)18-14-12-11-13-15-18)19(17(3)10-2)23-20(24)26-21(4,5)6/h9,11-15,17,19,25H,1,10,16H2,2-8H3,(H,23,24)/t17-,19-,22+/m0/s1.
What are the key properties of tert-butyl N-[(3S,4S,5R)-5-[dimethyl(phenyl)silyl]-5-hydroxy-3-methyloct-7-en-4-yl]carbamate?
tert-butyl N-[(3S,4S,5R)-5-[dimethyl(phenyl)silyl]-5-hydroxy-3-methyloct-7-en-4-yl]carbamate has a molecular weight of 391.63 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4S,5R)-5-[dimethyl(phenyl)silyl]-5-hydroxy-3-methyloct-7-en-4-yl]carbamate is sourced from PubChem (CID 10644193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).