tert-butyl-hydroxy-dimethylsilane;hept-1-yne

C13H28OSi — CID 87257109

IUPACtert-butyl-hydroxy-dimethylsilane;hept-1-yne
SMILESC#CCCCCC.CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C7H12.C6H16OSi/c1-3-5-7-6-4-2;1-6(2,3)8(4,5)7/h1H,4-7H2,2H3;7H,1-5H3
InChIKeyXAJCGDYEDAEUHO-UHFFFAOYSA-N
MW228.45 g/mol
LogP4.18
Rot. Bonds3

About tert-butyl-hydroxy-dimethylsilane;hept-1-yne

tert-butyl-hydroxy-dimethylsilane;hept-1-yne (PubChem CID 87257109) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is tert-butyl-hydroxy-dimethylsilane;hept-1-yne.

Molecular Properties

Compound Nametert-butyl-hydroxy-dimethylsilane;hept-1-yne
PubChem CID87257109
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Nametert-butyl-hydroxy-dimethylsilane;hept-1-yne
SMILESC#CCCCCC.CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C7H12.C6H16OSi/c1-3-5-7-6-4-2;1-6(2,3)8(4,5)7/h1H,4-7H2,2H3;7H,1-5H3
InChIKeyXAJCGDYEDAEUHO-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
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 tert-butyl-hydroxy-dimethylsilane;hept-1-yne?
The IUPAC name of tert-butyl-hydroxy-dimethylsilane;hept-1-yne (CID 87257109) is tert-butyl-hydroxy-dimethylsilane;hept-1-yne.
What is the SMILES notation for tert-butyl-hydroxy-dimethylsilane;hept-1-yne?
The canonical SMILES for tert-butyl-hydroxy-dimethylsilane;hept-1-yne is C#CCCCCC.CC(C)(C)[Si](C)(C)O.
What is the InChIKey of tert-butyl-hydroxy-dimethylsilane;hept-1-yne?
The InChIKey is XAJCGDYEDAEUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C6H16OSi/c1-3-5-7-6-4-2;1-6(2,3)8(4,5)7/h1H,4-7H2,2H3;7H,1-5H3.
What are the key properties of tert-butyl-hydroxy-dimethylsilane;hept-1-yne?
tert-butyl-hydroxy-dimethylsilane;hept-1-yne has a molecular weight of 228.45 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-hydroxy-dimethylsilane;hept-1-yne is sourced from PubChem (CID 87257109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).