[3,8-dimethoxy-3,8-bis(2-triethylsilylethynyl)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane

C46H78O2Si4 — CID 12036887

IUPAC[3,8-dimethoxy-3,8-bis(2-triethylsilylethynyl)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane
SMILESCC[Si](C#CC(C#CC#CC(C#C[Si](CC)(CC)CC)(C#C[Si](C(C)C)(C(C)C)C(C)C)OC)(C#C[Si](C(C)C)(C(C)C)C(C)C)OC)(CC)CC
InChIInChI=1S/C46H78O2Si4/c1-21-49(22-2,23-3)35-31-45(47-19,33-37-51(39(7)8,40(9)10)41(11)12)29-27-28-30-46(48-20,32-36-50(24-4,25-5)26-6)34-38-52(42(13)14,43(15)16)44(17)18/h39-44H,21-26H2,1-20H3
InChIKeyDBJVEBSBHZRUJX-UHFFFAOYSA-N
MW775.47 g/mol
LogP12.31
Rot. Bonds14

About [3,8-dimethoxy-3,8-bis(2-triethylsilylethynyl)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane

[3,8-dimethoxy-3,8-bis(2-triethylsilylethynyl)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane (PubChem CID 12036887) has the molecular formula C46H78O2Si4 and a molecular weight of 775.47 g/mol. Its IUPAC name is [3,8-dimethoxy-3,8-bis(2-triethylsilylethynyl)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3,8-dimethoxy-3,8-bis(2-triethylsilylethynyl)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane
PubChem CID12036887
Molecular FormulaC46H78O2Si4
Molecular Weight775.47 g/mol
Exact Mass774.51
IUPAC Name[3,8-dimethoxy-3,8-bis(2-triethylsilylethynyl)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane
SMILESCC[Si](C#CC(C#CC#CC(C#C[Si](CC)(CC)CC)(C#C[Si](C(C)C)(C(C)C)C(C)C)OC)(C#C[Si](C(C)C)(C(C)C)C(C)C)OC)(CC)CC
InChIInChI=1S/C46H78O2Si4/c1-21-49(22-2,23-3)35-31-45(47-19,33-37-51(39(7)8,40(9)10)41(11)12)29-27-28-30-46(48-20,32-36-50(24-4,25-5)26-6)34-38-52(42(13)14,43(15)16)44(17)18/h39-44H,21-26H2,1-20H3
InChIKeyDBJVEBSBHZRUJX-UHFFFAOYSA-N
XLogP12.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.47
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,7-Bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol
CID 15258550
Tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane
CID 12027346
Tri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane
CID 12036890
(3,6-Diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane
CID 102086370
6,9-Dimethoxy-1,14-bis(triethylsilyl)-6,9-bis(2-triethylsilylethynyl)tetradeca-1,4,7,10,13-pentayne-3,12-dione
CID 102086374
[(3R)-3,8-diethynyl-3,8-dimethoxy-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane
CID 134885025
4,7,13,16-Tetramethoxy-1,4,7,10,13,16-hexakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayne-1,10-diol
CID 138971021
(2-Tert-butylperoxy-4-triethylsilylbut-3-ynyl)-triethylsilane
CID 154711483
Trimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane
CID 54445108
Trimethyl-[1-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane
CID 57075904
4-[(2-Methylpropan-2-yl)oxy]but-1-ynyl-tri(propan-2-yl)silane
CID 57887482
Dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane;[ethyl(oxo)silyl]methyl-dimethyl-[methyl-(2-methylbut-3-yn-2-yloxy)-trimethylsilyloxysilyl]oxysilane;methane
CID 159116121

Frequently Asked Questions

What is the IUPAC name of [3,8-dimethoxy-3,8-bis(2-triethylsilylethynyl)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane?
The IUPAC name of [3,8-dimethoxy-3,8-bis(2-triethylsilylethynyl)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane (CID 12036887) is [3,8-dimethoxy-3,8-bis(2-triethylsilylethynyl)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3,8-dimethoxy-3,8-bis(2-triethylsilylethynyl)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [3,8-dimethoxy-3,8-bis(2-triethylsilylethynyl)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane is CC[Si](C#CC(C#CC#CC(C#C[Si](CC)(CC)CC)(C#C[Si](C(C)C)(C(C)C)C(C)C)OC)(C#C[Si](C(C)C)(C(C)C)C(C)C)OC)(CC)CC.
What is the InChIKey of [3,8-dimethoxy-3,8-bis(2-triethylsilylethynyl)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane?
The InChIKey is DBJVEBSBHZRUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H78O2Si4/c1-21-49(22-2,23-3)35-31-45(47-19,33-37-51(39(7)8,40(9)10)41(11)12)29-27-28-30-46(48-20,32-36-50(24-4,25-5)26-6)34-38-52(42(13)14,43(15)16)44(17)18/h39-44H,21-26H2,1-20H3.
What are the key properties of [3,8-dimethoxy-3,8-bis(2-triethylsilylethynyl)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane?
[3,8-dimethoxy-3,8-bis(2-triethylsilylethynyl)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane has a molecular weight of 775.47 g/mol, XLogP of 12.31, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,8-dimethoxy-3,8-bis(2-triethylsilylethynyl)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 12036887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).