[bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilane

C33H56O6Si2 — CID 176819367

IUPAC[bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilane
SMILESC#CC(C)(CC(C)C)O[Si](O)(C[Si](O)(OC(C)(C#C)CC(C)C)OC(C)(C#C)CC(C)C)OC(C)(C#C)CC(C)C
InChIInChI=1S/C33H56O6Si2/c1-17-30(13,21-26(5)6)36-40(34,37-31(14,18-2)22-27(7)8)25-41(35,38-32(15,19-3)23-28(9)10)39-33(16,20-4)24-29(11)12/h1-4,26-29,34-35H,21-25H2,5-16H3
InChIKeyAWEZSWYCHUUYQF-UHFFFAOYSA-N
MW604.98 g/mol
LogP6.21
Rot. Bonds18

About [bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilane

[bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilane (PubChem CID 176819367) has the molecular formula C33H56O6Si2 and a molecular weight of 604.98 g/mol. Its IUPAC name is [bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilane.

Molecular Properties

Compound Name[bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilane
PubChem CID176819367
Molecular FormulaC33H56O6Si2
Molecular Weight604.98 g/mol
Exact Mass604.36
IUPAC Name[bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilane
SMILESC#CC(C)(CC(C)C)O[Si](O)(C[Si](O)(OC(C)(C#C)CC(C)C)OC(C)(C#C)CC(C)C)OC(C)(C#C)CC(C)C
InChIInChI=1S/C33H56O6Si2/c1-17-30(13,21-26(5)6)36-40(34,37-31(14,18-2)22-27(7)8)25-41(35,38-32(15,19-3)23-28(9)10)39-33(16,20-4)24-29(11)12/h1-4,26-29,34-35H,21-25H2,5-16H3
InChIKeyAWEZSWYCHUUYQF-UHFFFAOYSA-N
XLogP6.21
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.98
LogP ≤ 56.21
H-Bond Donors ≤ 52
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)-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)-hydroxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilane?
The IUPAC name of [bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilane (CID 176819367) is [bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilane.
What is the SMILES notation for [bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilane?
The canonical SMILES for [bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilane is C#CC(C)(CC(C)C)O[Si](O)(C[Si](O)(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)-hydroxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilane?
The InChIKey is AWEZSWYCHUUYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56O6Si2/c1-17-30(13,21-26(5)6)36-40(34,37-31(14,18-2)22-27(7)8)25-41(35,38-32(15,19-3)23-28(9)10)39-33(16,20-4)24-29(11)12/h1-4,26-29,34-35H,21-25H2,5-16H3.
What are the key properties of [bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilane?
[bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilane has a molecular weight of 604.98 g/mol, XLogP of 6.21, 18 rotatable bonds, 2 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)-hydroxysilyl]methyl-bis(3,5-dimethylhex-1-yn-3-yloxy)-hydroxysilane is sourced from PubChem (CID 176819367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).