tris(2-methylpent-3-yn-2-yloxy)-[2-[tris(2-methylpent-3-yn-2-yloxy)silyl]ethyl]silane

C38H58O6Si2 — CID 169210420

IUPACtris(2-methylpent-3-yn-2-yloxy)-[2-[tris(2-methylpent-3-yn-2-yloxy)silyl]ethyl]silane
SMILESCC#CC(C)(C)O[Si](CC[Si](OC(C)(C)C#CC)(OC(C)(C)C#CC)OC(C)(C)C#CC)(OC(C)(C)C#CC)OC(C)(C)C#CC
InChIInChI=1S/C38H58O6Si2/c1-19-25-33(7,8)39-45(40-34(9,10)26-20-2,41-35(11,12)27-21-3)31-32-46(42-36(13,14)28-22-4,43-37(15,16)29-23-5)44-38(17,18)30-24-6/h31-32H2,1-18H3
InChIKeyOGAJEWDSWOWKQZ-UHFFFAOYSA-N
MW667.05 g/mol
LogP7.78
Rot. Bonds15

About tris(2-methylpent-3-yn-2-yloxy)-[2-[tris(2-methylpent-3-yn-2-yloxy)silyl]ethyl]silane

tris(2-methylpent-3-yn-2-yloxy)-[2-[tris(2-methylpent-3-yn-2-yloxy)silyl]ethyl]silane (PubChem CID 169210420) has the molecular formula C38H58O6Si2 and a molecular weight of 667.05 g/mol. Its IUPAC name is tris(2-methylpent-3-yn-2-yloxy)-[2-[tris(2-methylpent-3-yn-2-yloxy)silyl]ethyl]silane.

Molecular Properties

Compound Nametris(2-methylpent-3-yn-2-yloxy)-[2-[tris(2-methylpent-3-yn-2-yloxy)silyl]ethyl]silane
PubChem CID169210420
Molecular FormulaC38H58O6Si2
Molecular Weight667.05 g/mol
Exact Mass666.38
IUPAC Nametris(2-methylpent-3-yn-2-yloxy)-[2-[tris(2-methylpent-3-yn-2-yloxy)silyl]ethyl]silane
SMILESCC#CC(C)(C)O[Si](CC[Si](OC(C)(C)C#CC)(OC(C)(C)C#CC)OC(C)(C)C#CC)(OC(C)(C)C#CC)OC(C)(C)C#CC
InChIInChI=1S/C38H58O6Si2/c1-19-25-33(7,8)39-45(40-34(9,10)26-20-2,41-35(11,12)27-21-3)31-32-46(42-36(13,14)28-22-4,43-37(15,16)29-23-5)44-38(17,18)30-24-6/h31-32H2,1-18H3
InChIKeyOGAJEWDSWOWKQZ-UHFFFAOYSA-N
XLogP7.78
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.05
LogP ≤ 57.78
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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Frequently Asked Questions

What is the IUPAC name of tris(2-methylpent-3-yn-2-yloxy)-[2-[tris(2-methylpent-3-yn-2-yloxy)silyl]ethyl]silane?
The IUPAC name of tris(2-methylpent-3-yn-2-yloxy)-[2-[tris(2-methylpent-3-yn-2-yloxy)silyl]ethyl]silane (CID 169210420) is tris(2-methylpent-3-yn-2-yloxy)-[2-[tris(2-methylpent-3-yn-2-yloxy)silyl]ethyl]silane.
What is the SMILES notation for tris(2-methylpent-3-yn-2-yloxy)-[2-[tris(2-methylpent-3-yn-2-yloxy)silyl]ethyl]silane?
The canonical SMILES for tris(2-methylpent-3-yn-2-yloxy)-[2-[tris(2-methylpent-3-yn-2-yloxy)silyl]ethyl]silane is CC#CC(C)(C)O[Si](CC[Si](OC(C)(C)C#CC)(OC(C)(C)C#CC)OC(C)(C)C#CC)(OC(C)(C)C#CC)OC(C)(C)C#CC.
What is the InChIKey of tris(2-methylpent-3-yn-2-yloxy)-[2-[tris(2-methylpent-3-yn-2-yloxy)silyl]ethyl]silane?
The InChIKey is OGAJEWDSWOWKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H58O6Si2/c1-19-25-33(7,8)39-45(40-34(9,10)26-20-2,41-35(11,12)27-21-3)31-32-46(42-36(13,14)28-22-4,43-37(15,16)29-23-5)44-38(17,18)30-24-6/h31-32H2,1-18H3.
What are the key properties of tris(2-methylpent-3-yn-2-yloxy)-[2-[tris(2-methylpent-3-yn-2-yloxy)silyl]ethyl]silane?
tris(2-methylpent-3-yn-2-yloxy)-[2-[tris(2-methylpent-3-yn-2-yloxy)silyl]ethyl]silane has a molecular weight of 667.05 g/mol, XLogP of 7.78, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpent-3-yn-2-yloxy)-[2-[tris(2-methylpent-3-yn-2-yloxy)silyl]ethyl]silane is sourced from PubChem (CID 169210420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).