[1-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-3-trityloxypropan-2-yl] tetradecanoate

C72H93NO5Si2 — CID 131730101

IUPAC[1-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-3-trityloxypropan-2-yl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C72H93NO5Si2/c1-8-9-10-11-12-13-14-15-16-17-39-54-69(74)78-64(60-75-72(61-40-25-18-26-41-61,62-42-27-19-28-43-62)63-44-29-20-30-45-63)59-73(55-57-76-79(70(2,3)4,65-46-31-21-32-47-65)66-48-33-22-34-49-66)56-58-77-80(71(5,6)7,67-50-35-23-36-51-67)68-52-37-24-38-53-68/h18-38,40-53,64H,8-17,39,54-60H2,1-7H3
InChIKeyZLZOPYWAIORMOC-UHFFFAOYSA-N
MW1108.71 g/mol
LogP15.06
Rot. Bonds33

About [1-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-3-trityloxypropan-2-yl] tetradecanoate

[1-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-3-trityloxypropan-2-yl] tetradecanoate (PubChem CID 131730101) has the molecular formula C72H93NO5Si2 and a molecular weight of 1108.71 g/mol. Its IUPAC name is [1-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-3-trityloxypropan-2-yl] tetradecanoate.

Molecular Properties

Compound Name[1-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-3-trityloxypropan-2-yl] tetradecanoate
PubChem CID131730101
Molecular FormulaC72H93NO5Si2
Molecular Weight1108.71 g/mol
Exact Mass1107.66
IUPAC Name[1-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-3-trityloxypropan-2-yl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C72H93NO5Si2/c1-8-9-10-11-12-13-14-15-16-17-39-54-69(74)78-64(60-75-72(61-40-25-18-26-41-61,62-42-27-19-28-43-62)63-44-29-20-30-45-63)59-73(55-57-76-79(70(2,3)4,65-46-31-21-32-47-65)66-48-33-22-34-49-66)56-58-77-80(71(5,6)7,67-50-35-23-36-51-67)68-52-37-24-38-53-68/h18-38,40-53,64H,8-17,39,54-60H2,1-7H3
InChIKeyZLZOPYWAIORMOC-UHFFFAOYSA-N
XLogP15.06
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds33
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001108.71
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,6E,9R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,7-trimethyl-3-trityloxy-2,3,4,5,8,9-hexahydrooxonine-9-carboxamide
CID 15948544
benzyl (2S)-3-(dibenzylamino)-2-phenyl-2-phenylmethoxypropanoate
CID 138964503
1,1-Bis(diphenylmethoxy-2'-ethyldimethylammoniumacetoxy)decane dichloride
CID 171155
2,3-Bis(12-phenylmethoxydodecanoyloxy)propyl-trimethylazanium
CID 11377543
N-(3-hexadecoxy-2-phenylmethoxypropyl)-N-(2-trityloxyethyl)hexadecanamide
CID 19982436
[1-[Hexadecanoyl(2-trityloxyethyl)amino]-3-hexadecoxypropan-2-yl] acetate
CID 19982437
Benzyl 3-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(3-oxo-3-phenylmethoxypropyl)amino]ethyl-(3-oxo-3-phenylmethoxypropyl)amino]propanoate
CID 21359594
(1,1-Dimethylpyrrolidin-1-ium-3-yl) 2,2-diphenyl-2-(2-phenylmethoxyethoxy)acetate
CID 23336632
[2-[Tert-butyl(diphenyl)silyl]oxy-3-trityloxypropyl] octadec-9-enoate
CID 54524423
9-O,11-O,13-O,15-O,17-O,19-O,21-O-heptabenzyl 7-O-[2-(diethylamino)ethyl] 1-O,3-O,5-O-tris(trimethylsilyl) 1,1,3,5,7,9,11,13,15,17,19,21-dodecamethyltricosane-1,3,5,7,9,11,13,15,17,19,21-undecacarboxylate
CID 58224481
1-O-benzyl 12-O-[3-(dimethylamino)-2-(12-oxo-12-phenylmethoxydodecanoyl)oxypropyl] dodecanedioate
CID 68903195
[3-(Dimethylamino)-2-(12-phenylmethoxydodecanoyloxy)propyl] 12-phenylmethoxydodecanoate
CID 68903532

Frequently Asked Questions

What is the IUPAC name of [1-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-3-trityloxypropan-2-yl] tetradecanoate?
The IUPAC name of [1-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-3-trityloxypropan-2-yl] tetradecanoate (CID 131730101) is [1-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-3-trityloxypropan-2-yl] tetradecanoate.
What is the SMILES notation for [1-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-3-trityloxypropan-2-yl] tetradecanoate?
The canonical SMILES for [1-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-3-trityloxypropan-2-yl] tetradecanoate is CCCCCCCCCCCCCC(=O)OC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [1-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-3-trityloxypropan-2-yl] tetradecanoate?
The InChIKey is ZLZOPYWAIORMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H93NO5Si2/c1-8-9-10-11-12-13-14-15-16-17-39-54-69(74)78-64(60-75-72(61-40-25-18-26-41-61,62-42-27-19-28-43-62)63-44-29-20-30-45-63)59-73(55-57-76-79(70(2,3)4,65-46-31-21-32-47-65)66-48-33-22-34-49-66)56-58-77-80(71(5,6)7,67-50-35-23-36-51-67)68-52-37-24-38-53-68/h18-38,40-53,64H,8-17,39,54-60H2,1-7H3.
What are the key properties of [1-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-3-trityloxypropan-2-yl] tetradecanoate?
[1-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-3-trityloxypropan-2-yl] tetradecanoate has a molecular weight of 1108.71 g/mol, XLogP of 15.06, 33 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-3-trityloxypropan-2-yl] tetradecanoate is sourced from PubChem (CID 131730101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).