butyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane

C15H30OSi — CID 531328

IUPACbutyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)CCCC
InChIInChI=1S/C15H30OSi/c1-7-9-11-15(13-14(3)4)16-17(5,6)12-10-8-2/h14-15H,7-8,10,12-13H2,1-6H3
InChIKeyXWSJJIMGFVAYMO-UHFFFAOYSA-N
MW254.49 g/mol
LogP4.84
Rot. Bonds7

About butyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane

butyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane (PubChem CID 531328) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is butyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane.

Molecular Properties

Compound Namebutyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
PubChem CID531328
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Namebutyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)CCCC
InChIInChI=1S/C15H30OSi/c1-7-9-11-15(13-14(3)4)16-17(5,6)12-10-8-2/h14-15H,7-8,10,12-13H2,1-6H3
InChIKeyXWSJJIMGFVAYMO-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 54.84
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-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The IUPAC name of butyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane (CID 531328) is butyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane.
What is the SMILES notation for butyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The canonical SMILES for butyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane is CCC#CC(CC(C)C)O[Si](C)(C)CCCC.
What is the InChIKey of butyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The InChIKey is XWSJJIMGFVAYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30OSi/c1-7-9-11-15(13-14(3)4)16-17(5,6)12-10-8-2/h14-15H,7-8,10,12-13H2,1-6H3.
What are the key properties of butyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
butyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane has a molecular weight of 254.49 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane is sourced from PubChem (CID 531328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).