butyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane

C16H30OSi — CID 531329

IUPACbutyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](C)(C)CCCC
InChIInChI=1S/C16H30OSi/c1-8-9-12-18(6,7)17-16(13-15(4)5)11-10-14(2)3/h15-16H,2,8-9,12-13H2,1,3-7H3
InChIKeyREDJTWHWVVWKEY-UHFFFAOYSA-N
MW266.50 g/mol
LogP5.00
Rot. Bonds7

About butyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane

butyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane (PubChem CID 531329) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is butyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane.

Molecular Properties

Compound Namebutyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane
PubChem CID531329
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Namebutyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](C)(C)CCCC
InChIInChI=1S/C16H30OSi/c1-8-9-12-18(6,7)17-16(13-15(4)5)11-10-14(2)3/h15-16H,2,8-9,12-13H2,1,3-7H3
InChIKeyREDJTWHWVVWKEY-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.00
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 butyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane?
The IUPAC name of butyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane (CID 531329) is butyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane.
What is the SMILES notation for butyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane?
The canonical SMILES for butyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane is C=C(C)C#CC(CC(C)C)O[Si](C)(C)CCCC.
What is the InChIKey of butyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane?
The InChIKey is REDJTWHWVVWKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-8-9-12-18(6,7)17-16(13-15(4)5)11-10-14(2)3/h15-16H,2,8-9,12-13H2,1,3-7H3.
What are the key properties of butyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane?
butyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane has a molecular weight of 266.50 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2,7-dimethyloct-7-en-5-yn-4-yloxy)-dimethylsilane is sourced from PubChem (CID 531329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).