tert-butyl N-[(3R)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-1-yn-3-yl]carbamate

C23H47NO3Si2 — CID 102122528

IUPACtert-butyl N-[(3R)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-1-yn-3-yl]carbamate
SMILESCC(C)[Si](OCCC[C@H](C#C[Si](C)(C)C)NC(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H47NO3Si2/c1-18(2)29(19(3)4,20(5)6)26-16-13-14-21(15-17-28(10,11)12)24-22(25)27-23(7,8)9/h18-21H,13-14,16H2,1-12H3,(H,24,25)/t21-/m1/s1
InChIKeyFMOLUJHXXNPDBP-OAQYLSRUSA-N
MW441.81 g/mol
LogP6.73
Rot. Bonds9

About tert-butyl N-[(3R)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-1-yn-3-yl]carbamate

tert-butyl N-[(3R)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-1-yn-3-yl]carbamate (PubChem CID 102122528) has the molecular formula C23H47NO3Si2 and a molecular weight of 441.81 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-1-yn-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-1-yn-3-yl]carbamate
PubChem CID102122528
Molecular FormulaC23H47NO3Si2
Molecular Weight441.81 g/mol
Exact Mass441.31
IUPAC Nametert-butyl N-[(3R)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-1-yn-3-yl]carbamate
SMILESCC(C)[Si](OCCC[C@H](C#C[Si](C)(C)C)NC(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H47NO3Si2/c1-18(2)29(19(3)4,20(5)6)26-16-13-14-21(15-17-28(10,11)12)24-22(25)27-23(7,8)9/h18-21H,13-14,16H2,1-12H3,(H,24,25)/t21-/m1/s1
InChIKeyFMOLUJHXXNPDBP-OAQYLSRUSA-N
XLogP6.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.81
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(3R)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-1-yn-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-methyl-1-oxo-6-tri(propan-2-yl)silyloxyhexan-2-yl]carbamate
CID 19697569
tert-butyl (2R,3S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylpent-4-ynoate
CID 122379651
methyl (2S,5S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-trimethylsilylhept-6-ynoate
CID 86618967
tert-butyl N-[(1S)-1-cyanopentyl]carbamate
CID 22881859
tri(propan-2-yl)silyloxymethyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 71472771
tert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate
CID 164575135
tert-butyl N-[(3R)-6-methylhept-1-yn-3-yl]carbamate
CID 129203415
3-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylpent-4-ynoic acid
CID 178158247
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(3S)-5-methylhex-1-yn-3-yl]carbamate
CID 45092127
4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl methanesulfonate
CID 86612321
tert-butyl N-[(3S)-pent-1-yn-3-yl]carbamate
CID 58241875

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-1-yn-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-1-yn-3-yl]carbamate (CID 102122528) is tert-butyl N-[(3R)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-1-yn-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-1-yn-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-1-yn-3-yl]carbamate is CC(C)[Si](OCCC[C@H](C#C[Si](C)(C)C)NC(=O)OC(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[(3R)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-1-yn-3-yl]carbamate?
The InChIKey is FMOLUJHXXNPDBP-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H47NO3Si2/c1-18(2)29(19(3)4,20(5)6)26-16-13-14-21(15-17-28(10,11)12)24-22(25)27-23(7,8)9/h18-21H,13-14,16H2,1-12H3,(H,24,25)/t21-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-1-yn-3-yl]carbamate?
tert-butyl N-[(3R)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-1-yn-3-yl]carbamate has a molecular weight of 441.81 g/mol, XLogP of 6.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-trimethylsilyl-6-tri(propan-2-yl)silyloxyhex-1-yn-3-yl]carbamate is sourced from PubChem (CID 102122528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).