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

C42H70O6Si2 — CID 176819374

IUPACbis(3,5-dimethylhex-1-yn-3-yloxy)-methoxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane
SMILESC#CC(C)(CC(C)C)O[Si](C[Si](OC(C)(C#C)CC(C)C)(OC(C)(C#C)CC(C)C)OC(C)(C#C)CC(C)C)(OC)OC(C)(C#C)CC(C)C
InChIInChI=1S/C42H70O6Si2/c1-22-38(16,27-33(6)7)44-49(43-21,45-39(17,23-2)28-34(8)9)32-50(46-40(18,24-3)29-35(10)11,47-41(19,25-4)30-36(12)13)48-42(20,26-5)31-37(14)15/h1-5,33-37H,27-32H2,6-21H3
InChIKeyCAVPYYVHJSATLO-UHFFFAOYSA-N
MW727.19 g/mol
LogP9.32
Rot. Bonds23

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

bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane (PubChem CID 176819374) has the molecular formula C42H70O6Si2 and a molecular weight of 727.19 g/mol. Its IUPAC name is bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane.

Molecular Properties

Compound Namebis(3,5-dimethylhex-1-yn-3-yloxy)-methoxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane
PubChem CID176819374
Molecular FormulaC42H70O6Si2
Molecular Weight727.19 g/mol
Exact Mass726.47
IUPAC Namebis(3,5-dimethylhex-1-yn-3-yloxy)-methoxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane
SMILESC#CC(C)(CC(C)C)O[Si](C[Si](OC(C)(C#C)CC(C)C)(OC(C)(C#C)CC(C)C)OC(C)(C#C)CC(C)C)(OC)OC(C)(C#C)CC(C)C
InChIInChI=1S/C42H70O6Si2/c1-22-38(16,27-33(6)7)44-49(43-21,45-39(17,23-2)28-34(8)9)32-50(46-40(18,24-3)29-35(10)11,47-41(19,25-4)30-36(12)13)48-42(20,26-5)31-37(14)15/h1-5,33-37H,27-32H2,6-21H3
InChIKeyCAVPYYVHJSATLO-UHFFFAOYSA-N
XLogP9.32
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.19
LogP ≤ 59.32
H-Bond Donors ≤ 50
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)-hydroxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane
CID 176819364
[Bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilane
CID 176819367
CID 176819379
CID 176819379

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane?
The IUPAC name of bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane (CID 176819374) is bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane.
What is the SMILES notation for bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane?
The canonical SMILES for bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane is C#CC(C)(CC(C)C)O[Si](C[Si](OC(C)(C#C)CC(C)C)(OC(C)(C#C)CC(C)C)OC(C)(C#C)CC(C)C)(OC)OC(C)(C#C)CC(C)C.
What is the InChIKey of bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane?
The InChIKey is CAVPYYVHJSATLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H70O6Si2/c1-22-38(16,27-33(6)7)44-49(43-21,45-39(17,23-2)28-34(8)9)32-50(46-40(18,24-3)29-35(10)11,47-41(19,25-4)30-36(12)13)48-42(20,26-5)31-37(14)15/h1-5,33-37H,27-32H2,6-21H3.
What are the key properties of bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane?
bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane has a molecular weight of 727.19 g/mol, XLogP of 9.32, 23 rotatable bonds, 0 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)-methoxy-[tris(3,5-dimethylhex-1-yn-3-yloxy)silylmethyl]silane is sourced from PubChem (CID 176819374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).