2-methyloct-5-yn-4-yloxy-tris(2-methylpropyl)silane

C21H42OSi — CID 531263

IUPAC2-methyloct-5-yn-4-yloxy-tris(2-methylpropyl)silane
SMILESCCC#CC(CC(C)C)O[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C21H42OSi/c1-10-11-12-21(13-17(2)3)22-23(14-18(4)5,15-19(6)7)16-20(8)9/h17-21H,10,13-16H2,1-9H3
InChIKeyGTMZNKKNWLSATM-UHFFFAOYSA-N
MW338.65 g/mol
LogP6.74
Rot. Bonds10

About 2-methyloct-5-yn-4-yloxy-tris(2-methylpropyl)silane

2-methyloct-5-yn-4-yloxy-tris(2-methylpropyl)silane (PubChem CID 531263) has the molecular formula C21H42OSi and a molecular weight of 338.65 g/mol. Its IUPAC name is 2-methyloct-5-yn-4-yloxy-tris(2-methylpropyl)silane.

Molecular Properties

Compound Name2-methyloct-5-yn-4-yloxy-tris(2-methylpropyl)silane
PubChem CID531263
Molecular FormulaC21H42OSi
Molecular Weight338.65 g/mol
Exact Mass338.30
IUPAC Name2-methyloct-5-yn-4-yloxy-tris(2-methylpropyl)silane
SMILESCCC#CC(CC(C)C)O[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C21H42OSi/c1-10-11-12-21(13-17(2)3)22-23(14-18(4)5,15-19(6)7)16-20(8)9/h17-21H,10,13-16H2,1-9H3
InChIKeyGTMZNKKNWLSATM-UHFFFAOYSA-N
XLogP6.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.65
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-methyloct-5-yn-4-yloxy-tris(2-methylpropyl)silane?
The IUPAC name of 2-methyloct-5-yn-4-yloxy-tris(2-methylpropyl)silane (CID 531263) is 2-methyloct-5-yn-4-yloxy-tris(2-methylpropyl)silane.
What is the SMILES notation for 2-methyloct-5-yn-4-yloxy-tris(2-methylpropyl)silane?
The canonical SMILES for 2-methyloct-5-yn-4-yloxy-tris(2-methylpropyl)silane is CCC#CC(CC(C)C)O[Si](CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of 2-methyloct-5-yn-4-yloxy-tris(2-methylpropyl)silane?
The InChIKey is GTMZNKKNWLSATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42OSi/c1-10-11-12-21(13-17(2)3)22-23(14-18(4)5,15-19(6)7)16-20(8)9/h17-21H,10,13-16H2,1-9H3.
What are the key properties of 2-methyloct-5-yn-4-yloxy-tris(2-methylpropyl)silane?
2-methyloct-5-yn-4-yloxy-tris(2-methylpropyl)silane has a molecular weight of 338.65 g/mol, XLogP of 6.74, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloct-5-yn-4-yloxy-tris(2-methylpropyl)silane is sourced from PubChem (CID 531263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).