tert-butyl N-[(Z,3S)-1-[tert-butyl(diphenyl)silyl]oxytetradec-5-en-3-yl]carbamate

C35H55NO3Si — CID 11801092

IUPACtert-butyl N-[(Z,3S)-1-[tert-butyl(diphenyl)silyl]oxytetradec-5-en-3-yl]carbamate
SMILESCCCCCCCC/C=C\C[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C35H55NO3Si/c1-8-9-10-11-12-13-14-15-18-23-30(36-33(37)39-34(2,3)4)28-29-38-40(35(5,6)7,31-24-19-16-20-25-31)32-26-21-17-22-27-32/h15-22,24-27,30H,8-14,23,28-29H2,1-7H3,(H,36,37)/b18-15-/t30-/m0/s1
InChIKeyJTZVSQLVUXXOLU-DTZDQAFMSA-N
MW565.92 g/mol
LogP8.54
Rot. Bonds16

About tert-butyl N-[(Z,3S)-1-[tert-butyl(diphenyl)silyl]oxytetradec-5-en-3-yl]carbamate

tert-butyl N-[(Z,3S)-1-[tert-butyl(diphenyl)silyl]oxytetradec-5-en-3-yl]carbamate (PubChem CID 11801092) has the molecular formula C35H55NO3Si and a molecular weight of 565.92 g/mol. Its IUPAC name is tert-butyl N-[(Z,3S)-1-[tert-butyl(diphenyl)silyl]oxytetradec-5-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z,3S)-1-[tert-butyl(diphenyl)silyl]oxytetradec-5-en-3-yl]carbamate
PubChem CID11801092
Molecular FormulaC35H55NO3Si
Molecular Weight565.92 g/mol
Exact Mass565.40
IUPAC Nametert-butyl N-[(Z,3S)-1-[tert-butyl(diphenyl)silyl]oxytetradec-5-en-3-yl]carbamate
SMILESCCCCCCCC/C=C\C[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C35H55NO3Si/c1-8-9-10-11-12-13-14-15-18-23-30(36-33(37)39-34(2,3)4)28-29-38-40(35(5,6)7,31-24-19-16-20-25-31)32-26-21-17-22-27-32/h15-22,24-27,30H,8-14,23,28-29H2,1-7H3,(H,36,37)/b18-15-/t30-/m0/s1
InChIKeyJTZVSQLVUXXOLU-DTZDQAFMSA-N
XLogP8.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.92
LogP ≤ 58.54
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (R)-(1-((tert-butyldiphenylsilyl)oxy)-3-hydroxypropan-2-yl)carbamate
CID 10960965
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate
CID 162646706
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
tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypent-4-en-2-yl]carbamate
CID 44220524
(S,E)-tert-Butyl 8-(tert-butyldiphenylsilyloxy)-2-methyloct-5-en-4-ylcarbamate
CID 58345823
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 59316108
(S)-tert-butyl(1-((tert-butyldiphenylsilyl)oxy)-4-hydroxybutan-2-yl)carbamate
CID 69358153
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-iodobutan-2-yl]carbamate
CID 69359165
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
(E)-N-t-Butoxycarbonyl-4-(tert-butyldiphenylsilanyloxy)-2-fluoro-2-butenylamine
CID 59029502

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z,3S)-1-[tert-butyl(diphenyl)silyl]oxytetradec-5-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(Z,3S)-1-[tert-butyl(diphenyl)silyl]oxytetradec-5-en-3-yl]carbamate (CID 11801092) is tert-butyl N-[(Z,3S)-1-[tert-butyl(diphenyl)silyl]oxytetradec-5-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z,3S)-1-[tert-butyl(diphenyl)silyl]oxytetradec-5-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(Z,3S)-1-[tert-butyl(diphenyl)silyl]oxytetradec-5-en-3-yl]carbamate is CCCCCCCC/C=C\C[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z,3S)-1-[tert-butyl(diphenyl)silyl]oxytetradec-5-en-3-yl]carbamate?
The InChIKey is JTZVSQLVUXXOLU-DTZDQAFMSA-N. The full InChI is InChI=1S/C35H55NO3Si/c1-8-9-10-11-12-13-14-15-18-23-30(36-33(37)39-34(2,3)4)28-29-38-40(35(5,6)7,31-24-19-16-20-25-31)32-26-21-17-22-27-32/h15-22,24-27,30H,8-14,23,28-29H2,1-7H3,(H,36,37)/b18-15-/t30-/m0/s1.
What are the key properties of tert-butyl N-[(Z,3S)-1-[tert-butyl(diphenyl)silyl]oxytetradec-5-en-3-yl]carbamate?
tert-butyl N-[(Z,3S)-1-[tert-butyl(diphenyl)silyl]oxytetradec-5-en-3-yl]carbamate has a molecular weight of 565.92 g/mol, XLogP of 8.54, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z,3S)-1-[tert-butyl(diphenyl)silyl]oxytetradec-5-en-3-yl]carbamate is sourced from PubChem (CID 11801092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).