dimethyl-(2-methyloct-5-yn-4-yloxy)-octylsilane

C19H38OSi — CID 531297

IUPACdimethyl-(2-methyloct-5-yn-4-yloxy)-octylsilane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)CCCCCCCC
InChIInChI=1S/C19H38OSi/c1-7-9-11-12-13-14-16-21(5,6)20-19(15-10-8-2)17-18(3)4/h18-19H,7-9,11-14,16-17H2,1-6H3
InChIKeyZUFQJSFJEVEHFX-UHFFFAOYSA-N
MW310.60 g/mol
LogP6.40
Rot. Bonds11

About dimethyl-(2-methyloct-5-yn-4-yloxy)-octylsilane

dimethyl-(2-methyloct-5-yn-4-yloxy)-octylsilane (PubChem CID 531297) has the molecular formula C19H38OSi and a molecular weight of 310.60 g/mol. Its IUPAC name is dimethyl-(2-methyloct-5-yn-4-yloxy)-octylsilane.

Molecular Properties

Compound Namedimethyl-(2-methyloct-5-yn-4-yloxy)-octylsilane
PubChem CID531297
Molecular FormulaC19H38OSi
Molecular Weight310.60 g/mol
Exact Mass310.27
IUPAC Namedimethyl-(2-methyloct-5-yn-4-yloxy)-octylsilane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)CCCCCCCC
InChIInChI=1S/C19H38OSi/c1-7-9-11-12-13-14-16-21(5,6)20-19(15-10-8-2)17-18(3)4/h18-19H,7-9,11-14,16-17H2,1-6H3
InChIKeyZUFQJSFJEVEHFX-UHFFFAOYSA-N
XLogP6.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.60
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 dimethyl-(2-methyloct-5-yn-4-yloxy)-octylsilane?
The IUPAC name of dimethyl-(2-methyloct-5-yn-4-yloxy)-octylsilane (CID 531297) is dimethyl-(2-methyloct-5-yn-4-yloxy)-octylsilane.
What is the SMILES notation for dimethyl-(2-methyloct-5-yn-4-yloxy)-octylsilane?
The canonical SMILES for dimethyl-(2-methyloct-5-yn-4-yloxy)-octylsilane is CCC#CC(CC(C)C)O[Si](C)(C)CCCCCCCC.
What is the InChIKey of dimethyl-(2-methyloct-5-yn-4-yloxy)-octylsilane?
The InChIKey is ZUFQJSFJEVEHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38OSi/c1-7-9-11-12-13-14-16-21(5,6)20-19(15-10-8-2)17-18(3)4/h18-19H,7-9,11-14,16-17H2,1-6H3.
What are the key properties of dimethyl-(2-methyloct-5-yn-4-yloxy)-octylsilane?
dimethyl-(2-methyloct-5-yn-4-yloxy)-octylsilane has a molecular weight of 310.60 g/mol, XLogP of 6.40, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methyloct-5-yn-4-yloxy)-octylsilane is sourced from PubChem (CID 531297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).