bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane

C41H68O6Si2 — CID 176819364

IUPACbis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane
SMILESC#CC(C)(CC(C)C)O[Si](O)(C[Si](OC(C)(C#C)CC(C)C)(OC(C)(C#C)CC(C)C)OC(C)(C#C)CC(C)C)OC(C)(C#C)CC(C)C
InChIInChI=1S/C41H68O6Si2/c1-21-37(16,26-32(6)7)43-48(42,44-38(17,22-2)27-33(8)9)31-49(45-39(18,23-3)28-34(10)11,46-40(19,24-4)29-35(12)13)47-41(20,25-5)30-36(14)15/h1-5,32-36,42H,26-31H2,6-20H3
InChIKeyXKNIGFBKOHYMMG-UHFFFAOYSA-N
MW713.16 g/mol
LogP8.67
Rot. Bonds22

About bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane

bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane (PubChem CID 176819364) has the molecular formula C41H68O6Si2 and a molecular weight of 713.16 g/mol. Its IUPAC name is bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane.

Molecular Properties

Compound Namebis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane
PubChem CID176819364
Molecular FormulaC41H68O6Si2
Molecular Weight713.16 g/mol
Exact Mass712.46
IUPAC Namebis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane
SMILESC#CC(C)(CC(C)C)O[Si](O)(C[Si](OC(C)(C#C)CC(C)C)(OC(C)(C#C)CC(C)C)OC(C)(C#C)CC(C)C)OC(C)(C#C)CC(C)C
InChIInChI=1S/C41H68O6Si2/c1-21-37(16,26-32(6)7)43-48(42,44-38(17,22-2)27-33(8)9)31-49(45-39(18,23-3)28-34(10)11,46-40(19,24-4)29-35(12)13)47-41(20,25-5)30-36(14)15/h1-5,32-36,42H,26-31H2,6-20H3
InChIKeyXKNIGFBKOHYMMG-UHFFFAOYSA-N
XLogP8.67
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.16
LogP ≤ 58.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4,7-Bis(trimethylsiloxy)-2,4,7,9-tetramethyl-5-decyne
CID 91696953
Bis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane
CID 23450486
[(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-[(3S)-3,5-dimethylhex-1-yn-3-yl]oxy-dimethylsilane
CID 54269959
CID 176819362
CID 176819362
[Bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilane
CID 176819363
[Bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilane
CID 176819367
Bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane
CID 176819374
CID 176819379
CID 176819379

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane?
The IUPAC name of bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane (CID 176819364) is bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane.
What is the SMILES notation for bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane?
The canonical SMILES for bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane is C#CC(C)(CC(C)C)O[Si](O)(C[Si](OC(C)(C#C)CC(C)C)(OC(C)(C#C)CC(C)C)OC(C)(C#C)CC(C)C)OC(C)(C#C)CC(C)C.
What is the InChIKey of bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane?
The InChIKey is XKNIGFBKOHYMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H68O6Si2/c1-21-37(16,26-32(6)7)43-48(42,44-38(17,22-2)27-33(8)9)31-49(45-39(18,23-3)28-34(10)11,46-40(19,24-4)29-35(12)13)47-41(20,25-5)30-36(14)15/h1-5,32-36,42H,26-31H2,6-20H3.
What are the key properties of bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane?
bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane has a molecular weight of 713.16 g/mol, XLogP of 8.67, 22 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane is sourced from PubChem (CID 176819364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).