[bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilane

C35H60O6Si2 — CID 176819363

IUPAC[bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilane
SMILESC#CC(C)(CC(C)C)O[Si](C[Si](OC)(OC(C)(C#C)CC(C)C)OC(C)(C#C)CC(C)C)(OC)OC(C)(C#C)CC(C)C
InChIInChI=1S/C35H60O6Si2/c1-19-32(13,23-28(5)6)38-42(36-17,39-33(14,20-2)24-29(7)8)27-43(37-18,40-34(15,21-3)25-30(9)10)41-35(16,22-4)26-31(11)12/h1-4,28-31H,23-27H2,5-18H3
InChIKeyCIQNDPVQCLDTBL-UHFFFAOYSA-N
MW633.03 g/mol
LogP7.51
Rot. Bonds20

About [bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilane

[bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilane (PubChem CID 176819363) has the molecular formula C35H60O6Si2 and a molecular weight of 633.03 g/mol. Its IUPAC name is [bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilane.

Molecular Properties

Compound Name[bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilane
PubChem CID176819363
Molecular FormulaC35H60O6Si2
Molecular Weight633.03 g/mol
Exact Mass632.39
IUPAC Name[bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilane
SMILESC#CC(C)(CC(C)C)O[Si](C[Si](OC)(OC(C)(C#C)CC(C)C)OC(C)(C#C)CC(C)C)(OC)OC(C)(C#C)CC(C)C
InChIInChI=1S/C35H60O6Si2/c1-19-32(13,23-28(5)6)38-42(36-17,39-33(14,20-2)24-29(7)8)27-43(37-18,40-34(15,21-3)25-30(9)10)41-35(16,22-4)26-31(11)12/h1-4,28-31H,23-27H2,5-18H3
InChIKeyCIQNDPVQCLDTBL-UHFFFAOYSA-N
XLogP7.51
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.03
LogP ≤ 57.51
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)-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
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)-methoxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilane?
The IUPAC name of [bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilane (CID 176819363) is [bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilane.
What is the SMILES notation for [bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilane?
The canonical SMILES for [bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilane is C#CC(C)(CC(C)C)O[Si](C[Si](OC)(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)-methoxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilane?
The InChIKey is CIQNDPVQCLDTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H60O6Si2/c1-19-32(13,23-28(5)6)38-42(36-17,39-33(14,20-2)24-29(7)8)27-43(37-18,40-34(15,21-3)25-30(9)10)41-35(16,22-4)26-31(11)12/h1-4,28-31H,23-27H2,5-18H3.
What are the key properties of [bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilane?
[bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilane has a molecular weight of 633.03 g/mol, XLogP of 7.51, 20 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)-methoxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-methoxysilane is sourced from PubChem (CID 176819363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).