benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid;carbanide;hex-5-en-1-ol;hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate

C73H110Cl2N2O7RuSi2-2 — CID 159946356

IUPACbenzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid;carbanide;hex-5-en-1-ol;hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate
SMILESC/C=C/C=C/[C@H](CC#CC(=O)O)O[Si](C)(C)C(C)(C)C.C=CCCCCO.C=CCCCCOC(=O)C#CCC(/C=C/C=C/C)O[Si](C)(C)C(C)(C)C.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-]
InChIInChI=1S/C22H36O3Si.C21H27N2.C16H26O3Si.C7H6.C6H12O.CH3.2ClH.Ru/c1-8-10-12-14-19-24-21(23)18-15-17-20(16-13-11-9-2)25-26(6,7)22(3,4)5;1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-7-8-9-11-14(12-10-13-15(17)18)19-20(5,6)16(2,3)4;1-7-5-3-2-4-6-7;1-2-3-4-5-6-7;;;;/h8-9,11,13,16,20H,1,10,12,14,17,19H2,2-7H3;9-13H,7-8H2,1-6H3;7-9,11,14H,12H2,1-6H3,(H,17,18);1-6H;2,7H,1,3-6H2;1H3;2*1H;/q;-1;;;;-1;;;+2/p-2/b11-9+,16-13+;;8-7+,11-9+;;;;;;/t;;14-;;;;;;/m..1....../s1
InChIKeyDXLVIUIZDSDRHQ-ZCQPJQSLSA-L
MW1355.84 g/mol
LogP19.32
Rot. Bonds22

About benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid;carbanide;hex-5-en-1-ol;hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate

benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid;carbanide;hex-5-en-1-ol;hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate (PubChem CID 159946356) has the molecular formula C73H110Cl2N2O7RuSi2-2 and a molecular weight of 1355.84 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid;carbanide;hex-5-en-1-ol;hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate.

Molecular Properties

Compound Namebenzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid;carbanide;hex-5-en-1-ol;hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate
PubChem CID159946356
Molecular FormulaC73H110Cl2N2O7RuSi2-2
Molecular Weight1355.84 g/mol
Exact Mass1354.63
IUPAC Namebenzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid;carbanide;hex-5-en-1-ol;hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate
SMILESC/C=C/C=C/[C@H](CC#CC(=O)O)O[Si](C)(C)C(C)(C)C.C=CCCCCO.C=CCCCCOC(=O)C#CCC(/C=C/C=C/C)O[Si](C)(C)C(C)(C)C.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-]
InChIInChI=1S/C22H36O3Si.C21H27N2.C16H26O3Si.C7H6.C6H12O.CH3.2ClH.Ru/c1-8-10-12-14-19-24-21(23)18-15-17-20(16-13-11-9-2)25-26(6,7)22(3,4)5;1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-7-8-9-11-14(12-10-13-15(17)18)19-20(5,6)16(2,3)4;1-7-5-3-2-4-6-7;1-2-3-4-5-6-7;;;;/h8-9,11,13,16,20H,1,10,12,14,17,19H2,2-7H3;9-13H,7-8H2,1-6H3;7-9,11,14H,12H2,1-6H3,(H,17,18);1-6H;2,7H,1,3-6H2;1H3;2*1H;/q;-1;;;;-1;;;+2/p-2/b11-9+,16-13+;;8-7+,11-9+;;;;;;/t;;14-;;;;;;/m..1....../s1
InChIKeyDXLVIUIZDSDRHQ-ZCQPJQSLSA-L
XLogP19.32
TPSA108.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001355.84
LogP ≤ 519.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid;carbanide;hex-5-en-1-ol;hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate?
The IUPAC name of benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid;carbanide;hex-5-en-1-ol;hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate (CID 159946356) is benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid;carbanide;hex-5-en-1-ol;hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate.
What is the SMILES notation for benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid;carbanide;hex-5-en-1-ol;hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate?
The canonical SMILES for benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid;carbanide;hex-5-en-1-ol;hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate is C/C=C/C=C/[C@H](CC#CC(=O)O)O[Si](C)(C)C(C)(C)C.C=CCCCCO.C=CCCCCOC(=O)C#CCC(/C=C/C=C/C)O[Si](C)(C)C(C)(C)C.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-].
What is the InChIKey of benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid;carbanide;hex-5-en-1-ol;hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate?
The InChIKey is DXLVIUIZDSDRHQ-ZCQPJQSLSA-L. The full InChI is InChI=1S/C22H36O3Si.C21H27N2.C16H26O3Si.C7H6.C6H12O.CH3.2ClH.Ru/c1-8-10-12-14-19-24-21(23)18-15-17-20(16-13-11-9-2)25-26(6,7)22(3,4)5;1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-7-8-9-11-14(12-10-13-15(17)18)19-20(5,6)16(2,3)4;1-7-5-3-2-4-6-7;1-2-3-4-5-6-7;;;;/h8-9,11,13,16,20H,1,10,12,14,17,19H2,2-7H3;9-13H,7-8H2,1-6H3;7-9,11,14H,12H2,1-6H3,(H,17,18);1-6H;2,7H,1,3-6H2;1H3;2*1H;/q;-1;;;;-1;;;+2/p-2/b11-9+,16-13+;;8-7+,11-9+;;;;;;/t;;14-;;;;;;/m..1....../s1.
What are the key properties of benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid;carbanide;hex-5-en-1-ol;hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate?
benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid;carbanide;hex-5-en-1-ol;hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate has a molecular weight of 1355.84 g/mol, XLogP of 19.32, 22 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(5S,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoic acid;carbanide;hex-5-en-1-ol;hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate is sourced from PubChem (CID 159946356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).