trimethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane

C12H24OSi — CID 12893761

IUPACtrimethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane
SMILESC#CC[C@](C)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-7-9-11-12(3,10-8-2)13-14(4,5)6/h2H,7,9-11H2,1,3-6H3/t12-/m1/s1
InChIKeyCUIZMOBTKIYAAO-GFCCVEGCSA-N
MW212.41 g/mol
LogP3.81
Rot. Bonds6

About trimethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane

trimethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane (PubChem CID 12893761) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is trimethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane
PubChem CID12893761
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Nametrimethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane
SMILESC#CC[C@](C)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-7-9-11-12(3,10-8-2)13-14(4,5)6/h2H,7,9-11H2,1,3-6H3/t12-/m1/s1
InChIKeyCUIZMOBTKIYAAO-GFCCVEGCSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.81
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-[(4S)-4-methyloct-1-yn-4-yl]oxysilane?
The IUPAC name of trimethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane (CID 12893761) is trimethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane.
What is the SMILES notation for trimethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane?
The canonical SMILES for trimethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane is C#CC[C@](C)(CCCC)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane?
The InChIKey is CUIZMOBTKIYAAO-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H24OSi/c1-7-9-11-12(3,10-8-2)13-14(4,5)6/h2H,7,9-11H2,1,3-6H3/t12-/m1/s1.
What are the key properties of trimethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane?
trimethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane has a molecular weight of 212.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane is sourced from PubChem (CID 12893761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).