(Z)-N,N'-bis[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]hexadec-8-en-5,11-diynediamide

C54H70N2O4Si2 — CID 25223868

IUPAC(Z)-N,N'-bis[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]hexadec-8-en-5,11-diynediamide
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)CCCC#CC/C=C\CC#CCCCC(=O)N[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C54H70N2O4Si2/c1-45(43-59-61(53(3,4)5,47-33-23-19-24-34-47)48-35-25-20-26-36-48)55-51(57)41-31-17-15-13-11-9-10-12-14-16-18-32-42-52(58)56-46(2)44-60-62(54(6,7)8,49-37-27-21-28-38-49)50-39-29-22-30-40-50/h9-10,19-30,33-40,45-46H,11-12,17-18,31-32,41-44H2,1-8H3,(H,55,57)(H,56,58)/b10-9-/t45-,46-/m1/s1
InChIKeyXAZCXNIWSIDLES-JXYCSFGWSA-N
MW867.34 g/mol
LogP8.83
Rot. Bonds20

About (Z)-N,N'-bis[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]hexadec-8-en-5,11-diynediamide

(Z)-N,N'-bis[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]hexadec-8-en-5,11-diynediamide (PubChem CID 25223868) has the molecular formula C54H70N2O4Si2 and a molecular weight of 867.34 g/mol. Its IUPAC name is (Z)-N,N'-bis[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]hexadec-8-en-5,11-diynediamide.

Molecular Properties

Compound Name(Z)-N,N'-bis[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]hexadec-8-en-5,11-diynediamide
PubChem CID25223868
Molecular FormulaC54H70N2O4Si2
Molecular Weight867.34 g/mol
Exact Mass866.49
IUPAC Name(Z)-N,N'-bis[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]hexadec-8-en-5,11-diynediamide
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)CCCC#CC/C=C\CC#CCCCC(=O)N[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C54H70N2O4Si2/c1-45(43-59-61(53(3,4)5,47-33-23-19-24-34-47)48-35-25-20-26-36-48)55-51(57)41-31-17-15-13-11-9-10-12-14-16-18-32-42-52(58)56-46(2)44-60-62(54(6,7)8,49-37-27-21-28-38-49)50-39-29-22-30-40-50/h9-10,19-30,33-40,45-46H,11-12,17-18,31-32,41-44H2,1-8H3,(H,55,57)(H,56,58)/b10-9-/t45-,46-/m1/s1
InChIKeyXAZCXNIWSIDLES-JXYCSFGWSA-N
XLogP8.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.34
LogP ≤ 58.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N'-bis[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]hexadec-8-en-5,11-diynediamide?
The IUPAC name of (Z)-N,N'-bis[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]hexadec-8-en-5,11-diynediamide (CID 25223868) is (Z)-N,N'-bis[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]hexadec-8-en-5,11-diynediamide.
What is the SMILES notation for (Z)-N,N'-bis[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]hexadec-8-en-5,11-diynediamide?
The canonical SMILES for (Z)-N,N'-bis[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]hexadec-8-en-5,11-diynediamide is C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)CCCC#CC/C=C\CC#CCCCC(=O)N[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (Z)-N,N'-bis[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]hexadec-8-en-5,11-diynediamide?
The InChIKey is XAZCXNIWSIDLES-JXYCSFGWSA-N. The full InChI is InChI=1S/C54H70N2O4Si2/c1-45(43-59-61(53(3,4)5,47-33-23-19-24-34-47)48-35-25-20-26-36-48)55-51(57)41-31-17-15-13-11-9-10-12-14-16-18-32-42-52(58)56-46(2)44-60-62(54(6,7)8,49-37-27-21-28-38-49)50-39-29-22-30-40-50/h9-10,19-30,33-40,45-46H,11-12,17-18,31-32,41-44H2,1-8H3,(H,55,57)(H,56,58)/b10-9-/t45-,46-/m1/s1.
What are the key properties of (Z)-N,N'-bis[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]hexadec-8-en-5,11-diynediamide?
(Z)-N,N'-bis[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]hexadec-8-en-5,11-diynediamide has a molecular weight of 867.34 g/mol, XLogP of 8.83, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N'-bis[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]hexadec-8-en-5,11-diynediamide is sourced from PubChem (CID 25223868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).