trimethyl(2-methyloct-5-yn-4-yloxy)silane

C12H24OSi — CID 531270

IUPACtrimethyl(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-7-8-9-12(10-11(2)3)13-14(4,5)6/h11-12H,7,10H2,1-6H3
InChIKeyCLOAVYAPHKGLNZ-UHFFFAOYSA-N
MW212.41 g/mol
LogP3.67
Rot. Bonds4

About trimethyl(2-methyloct-5-yn-4-yloxy)silane

trimethyl(2-methyloct-5-yn-4-yloxy)silane (PubChem CID 531270) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is trimethyl(2-methyloct-5-yn-4-yloxy)silane.

Molecular Properties

Compound Nametrimethyl(2-methyloct-5-yn-4-yloxy)silane
PubChem CID531270
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Nametrimethyl(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-7-8-9-12(10-11(2)3)13-14(4,5)6/h11-12H,7,10H2,1-6H3
InChIKeyCLOAVYAPHKGLNZ-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.67
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 trimethyl(2-methyloct-5-yn-4-yloxy)silane?
The IUPAC name of trimethyl(2-methyloct-5-yn-4-yloxy)silane (CID 531270) is trimethyl(2-methyloct-5-yn-4-yloxy)silane.
What is the SMILES notation for trimethyl(2-methyloct-5-yn-4-yloxy)silane?
The canonical SMILES for trimethyl(2-methyloct-5-yn-4-yloxy)silane is CCC#CC(CC(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl(2-methyloct-5-yn-4-yloxy)silane?
The InChIKey is CLOAVYAPHKGLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-7-8-9-12(10-11(2)3)13-14(4,5)6/h11-12H,7,10H2,1-6H3.
What are the key properties of trimethyl(2-methyloct-5-yn-4-yloxy)silane?
trimethyl(2-methyloct-5-yn-4-yloxy)silane has a molecular weight of 212.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-methyloct-5-yn-4-yloxy)silane is sourced from PubChem (CID 531270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).