lithium;sodium;1-(2-bromoethoxy)nonane;(Z)-10-bromo-1-nonoxydec-3-ene;butane;tert-butyl-[(Z)-10-nonoxydec-7-enoxy]-diphenylsilane;tert-butyl-(10-nonoxydec-7-ynoxy)-diphenylsilane;tert-butyl-oct-7-ynoxy-diphenylsilane;ethanol;methane;(Z)-10-nonoxydec-7-ene-1-sulfonate;(Z)-10-nonoxydec-7-en-1-ol

C171H304Br2LiNaO14SSi3 — CID 157472237

IUPAClithium;sodium;1-(2-bromoethoxy)nonane;(Z)-10-bromo-1-nonoxydec-3-ene;butane;tert-butyl-[(Z)-10-nonoxydec-7-enoxy]-diphenylsilane;tert-butyl-(10-nonoxydec-7-ynoxy)-diphenylsilane;tert-butyl-oct-7-ynoxy-diphenylsilane;ethanol;methane;(Z)-10-nonoxydec-7-ene-1-sulfonate;(Z)-10-nonoxydec-7-en-1-ol
SMILESC.C.C.C#CCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCCCCCCCCOCC/C=C\CCCCCCBr.CCCCCCCCCOCC/C=C\CCCCCCO.CCCCCCCCCOCC/C=C\CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCCCCCCCCOCC/C=C\CCCCCCS(=O)(=O)[O-].CCCCCCCCCOCCBr.CCCCCCCCCOCCC#CCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCO.[CH2-]CCC.[Li+].[Na+]
InChIInChI=1S/C35H56O2Si.C35H54O2Si.C24H32OSi.C19H37BrO.C19H38O4S.C19H38O2.C11H23BrO.C4H9.C2H6O.3CH4.Li.Na/c2*1-5-6-7-8-11-14-23-30-36-31-24-15-12-9-10-13-16-25-32-37-38(35(2,3)4,33-26-19-17-20-27-33)34-28-21-18-22-29-34;1-5-6-7-8-9-16-21-25-26(24(2,3)4,22-17-12-10-13-18-22)23-19-14-11-15-20-23;1-2-3-4-5-9-12-15-18-21-19-16-13-10-7-6-8-11-14-17-20;1-2-3-4-5-8-11-14-17-23-18-15-12-9-6-7-10-13-16-19-24(20,21)22;1-2-3-4-5-9-12-15-18-21-19-16-13-10-7-6-8-11-14-17-20;1-2-3-4-5-6-7-8-10-13-11-9-12;1-3-4-2;1-2-3;;;;;/h12,15,17-22,26-29H,5-11,13-14,16,23-25,30-32H2,1-4H3;17-22,26-29H,5-11,13-14,16,23-25,30-32H2,1-4H3;1,10-15,17-20H,6-9,16,21H2,2-4H3;10,13H,2-9,11-12,14-19H2,1H3;9,12H,2-8,10-11,13-19H2,1H3,(H,20,21,22);10,13,20H,2-9,11-12,14-19H2,1H3;2-11H2,1H3;1,3-4H2,2H3;3H,2H2,1H3;3*1H4;;/q;;;;;;;-1;;;;;2*+1/p-1/b15-12-;;;13-10-;12-9-;13-10-;;;;;;;;
InChIKeySINVLSGNQQZNRY-INVGJLOPSA-M
MW2890.36 g/mol
LogP42.62
Rot. Bonds112

About lithium;sodium;1-(2-bromoethoxy)nonane;(Z)-10-bromo-1-nonoxydec-3-ene;butane;tert-butyl-[(Z)-10-nonoxydec-7-enoxy]-diphenylsilane;tert-butyl-(10-nonoxydec-7-ynoxy)-diphenylsilane;tert-butyl-oct-7-ynoxy-diphenylsilane;ethanol;methane;(Z)-10-nonoxydec-7-ene-1-sulfonate;(Z)-10-nonoxydec-7-en-1-ol

lithium;sodium;1-(2-bromoethoxy)nonane;(Z)-10-bromo-1-nonoxydec-3-ene;butane;tert-butyl-[(Z)-10-nonoxydec-7-enoxy]-diphenylsilane;tert-butyl-(10-nonoxydec-7-ynoxy)-diphenylsilane;tert-butyl-oct-7-ynoxy-diphenylsilane;ethanol;methane;(Z)-10-nonoxydec-7-ene-1-sulfonate;(Z)-10-nonoxydec-7-en-1-ol (PubChem CID 157472237) has the molecular formula C171H304Br2LiNaO14SSi3 and a molecular weight of 2890.36 g/mol. Its IUPAC name is lithium;sodium;1-(2-bromoethoxy)nonane;(Z)-10-bromo-1-nonoxydec-3-ene;butane;tert-butyl-[(Z)-10-nonoxydec-7-enoxy]-diphenylsilane;tert-butyl-(10-nonoxydec-7-ynoxy)-diphenylsilane;tert-butyl-oct-7-ynoxy-diphenylsilane;ethanol;methane;(Z)-10-nonoxydec-7-ene-1-sulfonate;(Z)-10-nonoxydec-7-en-1-ol.

Molecular Properties

Compound Namelithium;sodium;1-(2-bromoethoxy)nonane;(Z)-10-bromo-1-nonoxydec-3-ene;butane;tert-butyl-[(Z)-10-nonoxydec-7-enoxy]-diphenylsilane;tert-butyl-(10-nonoxydec-7-ynoxy)-diphenylsilane;tert-butyl-oct-7-ynoxy-diphenylsilane;ethanol;methane;(Z)-10-nonoxydec-7-ene-1-sulfonate;(Z)-10-nonoxydec-7-en-1-ol
PubChem CID157472237
Molecular FormulaC171H304Br2LiNaO14SSi3
Molecular Weight2890.36 g/mol
Exact Mass2886.05
IUPAC Namelithium;sodium;1-(2-bromoethoxy)nonane;(Z)-10-bromo-1-nonoxydec-3-ene;butane;tert-butyl-[(Z)-10-nonoxydec-7-enoxy]-diphenylsilane;tert-butyl-(10-nonoxydec-7-ynoxy)-diphenylsilane;tert-butyl-oct-7-ynoxy-diphenylsilane;ethanol;methane;(Z)-10-nonoxydec-7-ene-1-sulfonate;(Z)-10-nonoxydec-7-en-1-ol
SMILESC.C.C.C#CCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCCCCCCCCOCC/C=C\CCCCCCBr.CCCCCCCCCOCC/C=C\CCCCCCO.CCCCCCCCCOCC/C=C\CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCCCCCCCCOCC/C=C\CCCCCCS(=O)(=O)[O-].CCCCCCCCCOCCBr.CCCCCCCCCOCCC#CCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCO.[CH2-]CCC.[Li+].[Na+]
InChIInChI=1S/C35H56O2Si.C35H54O2Si.C24H32OSi.C19H37BrO.C19H38O4S.C19H38O2.C11H23BrO.C4H9.C2H6O.3CH4.Li.Na/c2*1-5-6-7-8-11-14-23-30-36-31-24-15-12-9-10-13-16-25-32-37-38(35(2,3)4,33-26-19-17-20-27-33)34-28-21-18-22-29-34;1-5-6-7-8-9-16-21-25-26(24(2,3)4,22-17-12-10-13-18-22)23-19-14-11-15-20-23;1-2-3-4-5-9-12-15-18-21-19-16-13-10-7-6-8-11-14-17-20;1-2-3-4-5-8-11-14-17-23-18-15-12-9-6-7-10-13-16-19-24(20,21)22;1-2-3-4-5-9-12-15-18-21-19-16-13-10-7-6-8-11-14-17-20;1-2-3-4-5-6-7-8-10-13-11-9-12;1-3-4-2;1-2-3;;;;;/h12,15,17-22,26-29H,5-11,13-14,16,23-25,30-32H2,1-4H3;17-22,26-29H,5-11,13-14,16,23-25,30-32H2,1-4H3;1,10-15,17-20H,6-9,16,21H2,2-4H3;10,13H,2-9,11-12,14-19H2,1H3;9,12H,2-8,10-11,13-19H2,1H3,(H,20,21,22);10,13,20H,2-9,11-12,14-19H2,1H3;2-11H2,1H3;1,3-4H2,2H3;3H,2H2,1H3;3*1H4;;/q;;;;;;;-1;;;;;2*+1/p-1/b15-12-;;;13-10-;12-9-;13-10-;;;;;;;;
InChIKeySINVLSGNQQZNRY-INVGJLOPSA-M
XLogP42.62
TPSA180.73 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds112
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002890.36
LogP ≤ 542.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze lithium;sodium;1-(2-bromoethoxy)nonane;(Z)-10-bromo-1-nonoxydec-3-ene;butane;tert-butyl-[(Z)-10-nonoxydec-7-enoxy]-diphenylsilane;tert-butyl-(10-nonoxydec-7-ynoxy)-diphenylsilane;tert-butyl-oct-7-ynoxy-diphenylsilane;ethanol;methane;(Z)-10-nonoxydec-7-ene-1-sulfonate;(Z)-10-nonoxydec-7-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

lithium;butane;16-[tert-butyl(diphenyl)silyl]oxyhexadec-2-yn-1-ol;tert-butyl-pentadec-14-ynoxy-diphenylsilane
CID 157141596
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
CID 69009078
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
(E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol
CID 135030913
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
acetylene;1-bromobutane;1-bromodecane;dodec-1-yne;(Z)-hexadec-5-ene;(Z)-hexadec-11-en-1-ol;hexadec-5-yne;molecular hydrogen
CID 158711970
16-[tert-butyl(diphenyl)silyl]oxyheptadec-4-yn-1-ol;(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol;methane;molecular hydrogen
CID 158614874

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;1-(2-bromoethoxy)nonane;(Z)-10-bromo-1-nonoxydec-3-ene;butane;tert-butyl-[(Z)-10-nonoxydec-7-enoxy]-diphenylsilane;tert-butyl-(10-nonoxydec-7-ynoxy)-diphenylsilane;tert-butyl-oct-7-ynoxy-diphenylsilane;ethanol;methane;(Z)-10-nonoxydec-7-ene-1-sulfonate;(Z)-10-nonoxydec-7-en-1-ol?
The IUPAC name of lithium;sodium;1-(2-bromoethoxy)nonane;(Z)-10-bromo-1-nonoxydec-3-ene;butane;tert-butyl-[(Z)-10-nonoxydec-7-enoxy]-diphenylsilane;tert-butyl-(10-nonoxydec-7-ynoxy)-diphenylsilane;tert-butyl-oct-7-ynoxy-diphenylsilane;ethanol;methane;(Z)-10-nonoxydec-7-ene-1-sulfonate;(Z)-10-nonoxydec-7-en-1-ol (CID 157472237) is lithium;sodium;1-(2-bromoethoxy)nonane;(Z)-10-bromo-1-nonoxydec-3-ene;butane;tert-butyl-[(Z)-10-nonoxydec-7-enoxy]-diphenylsilane;tert-butyl-(10-nonoxydec-7-ynoxy)-diphenylsilane;tert-butyl-oct-7-ynoxy-diphenylsilane;ethanol;methane;(Z)-10-nonoxydec-7-ene-1-sulfonate;(Z)-10-nonoxydec-7-en-1-ol.
What is the SMILES notation for lithium;sodium;1-(2-bromoethoxy)nonane;(Z)-10-bromo-1-nonoxydec-3-ene;butane;tert-butyl-[(Z)-10-nonoxydec-7-enoxy]-diphenylsilane;tert-butyl-(10-nonoxydec-7-ynoxy)-diphenylsilane;tert-butyl-oct-7-ynoxy-diphenylsilane;ethanol;methane;(Z)-10-nonoxydec-7-ene-1-sulfonate;(Z)-10-nonoxydec-7-en-1-ol?
The canonical SMILES for lithium;sodium;1-(2-bromoethoxy)nonane;(Z)-10-bromo-1-nonoxydec-3-ene;butane;tert-butyl-[(Z)-10-nonoxydec-7-enoxy]-diphenylsilane;tert-butyl-(10-nonoxydec-7-ynoxy)-diphenylsilane;tert-butyl-oct-7-ynoxy-diphenylsilane;ethanol;methane;(Z)-10-nonoxydec-7-ene-1-sulfonate;(Z)-10-nonoxydec-7-en-1-ol is C.C.C.C#CCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCCCCCCCCOCC/C=C\CCCCCCBr.CCCCCCCCCOCC/C=C\CCCCCCO.CCCCCCCCCOCC/C=C\CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCCCCCCCCOCC/C=C\CCCCCCS(=O)(=O)[O-].CCCCCCCCCOCCBr.CCCCCCCCCOCCC#CCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCO.[CH2-]CCC.[Li+].[Na+].
What is the InChIKey of lithium;sodium;1-(2-bromoethoxy)nonane;(Z)-10-bromo-1-nonoxydec-3-ene;butane;tert-butyl-[(Z)-10-nonoxydec-7-enoxy]-diphenylsilane;tert-butyl-(10-nonoxydec-7-ynoxy)-diphenylsilane;tert-butyl-oct-7-ynoxy-diphenylsilane;ethanol;methane;(Z)-10-nonoxydec-7-ene-1-sulfonate;(Z)-10-nonoxydec-7-en-1-ol?
The InChIKey is SINVLSGNQQZNRY-INVGJLOPSA-M. The full InChI is InChI=1S/C35H56O2Si.C35H54O2Si.C24H32OSi.C19H37BrO.C19H38O4S.C19H38O2.C11H23BrO.C4H9.C2H6O.3CH4.Li.Na/c2*1-5-6-7-8-11-14-23-30-36-31-24-15-12-9-10-13-16-25-32-37-38(35(2,3)4,33-26-19-17-20-27-33)34-28-21-18-22-29-34;1-5-6-7-8-9-16-21-25-26(24(2,3)4,22-17-12-10-13-18-22)23-19-14-11-15-20-23;1-2-3-4-5-9-12-15-18-21-19-16-13-10-7-6-8-11-14-17-20;1-2-3-4-5-8-11-14-17-23-18-15-12-9-6-7-10-13-16-19-24(20,21)22;1-2-3-4-5-9-12-15-18-21-19-16-13-10-7-6-8-11-14-17-20;1-2-3-4-5-6-7-8-10-13-11-9-12;1-3-4-2;1-2-3;;;;;/h12,15,17-22,26-29H,5-11,13-14,16,23-25,30-32H2,1-4H3;17-22,26-29H,5-11,13-14,16,23-25,30-32H2,1-4H3;1,10-15,17-20H,6-9,16,21H2,2-4H3;10,13H,2-9,11-12,14-19H2,1H3;9,12H,2-8,10-11,13-19H2,1H3,(H,20,21,22);10,13,20H,2-9,11-12,14-19H2,1H3;2-11H2,1H3;1,3-4H2,2H3;3H,2H2,1H3;3*1H4;;/q;;;;;;;-1;;;;;2*+1/p-1/b15-12-;;;13-10-;12-9-;13-10-;;;;;;;;.
What are the key properties of lithium;sodium;1-(2-bromoethoxy)nonane;(Z)-10-bromo-1-nonoxydec-3-ene;butane;tert-butyl-[(Z)-10-nonoxydec-7-enoxy]-diphenylsilane;tert-butyl-(10-nonoxydec-7-ynoxy)-diphenylsilane;tert-butyl-oct-7-ynoxy-diphenylsilane;ethanol;methane;(Z)-10-nonoxydec-7-ene-1-sulfonate;(Z)-10-nonoxydec-7-en-1-ol?
lithium;sodium;1-(2-bromoethoxy)nonane;(Z)-10-bromo-1-nonoxydec-3-ene;butane;tert-butyl-[(Z)-10-nonoxydec-7-enoxy]-diphenylsilane;tert-butyl-(10-nonoxydec-7-ynoxy)-diphenylsilane;tert-butyl-oct-7-ynoxy-diphenylsilane;ethanol;methane;(Z)-10-nonoxydec-7-ene-1-sulfonate;(Z)-10-nonoxydec-7-en-1-ol has a molecular weight of 2890.36 g/mol, XLogP of 42.62, 112 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;1-(2-bromoethoxy)nonane;(Z)-10-bromo-1-nonoxydec-3-ene;butane;tert-butyl-[(Z)-10-nonoxydec-7-enoxy]-diphenylsilane;tert-butyl-(10-nonoxydec-7-ynoxy)-diphenylsilane;tert-butyl-oct-7-ynoxy-diphenylsilane;ethanol;methane;(Z)-10-nonoxydec-7-ene-1-sulfonate;(Z)-10-nonoxydec-7-en-1-ol is sourced from PubChem (CID 157472237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).