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

C12H26OSi — CID 87257098

IUPACtert-butyl-hydroxy-dimethylsilane;hex-1-yne
SMILESC#CCCCC.CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C6H16OSi.C6H10/c1-6(2,3)8(4,5)7;1-3-5-6-4-2/h7H,1-5H3;1H,4-6H2,2H3
InChIKeyWIZOOPAURNGYTQ-UHFFFAOYSA-N
MW214.42 g/mol
LogP3.79
Rot. Bonds2

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

tert-butyl-hydroxy-dimethylsilane;hex-1-yne (PubChem CID 87257098) has the molecular formula C12H26OSi and a molecular weight of 214.42 g/mol. Its IUPAC name is tert-butyl-hydroxy-dimethylsilane;hex-1-yne.

Molecular Properties

Compound Nametert-butyl-hydroxy-dimethylsilane;hex-1-yne
PubChem CID87257098
Molecular FormulaC12H26OSi
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Nametert-butyl-hydroxy-dimethylsilane;hex-1-yne
SMILESC#CCCCC.CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C6H16OSi.C6H10/c1-6(2,3)8(4,5)7;1-3-5-6-4-2/h7H,1-5H3;1H,4-6H2,2H3
InChIKeyWIZOOPAURNGYTQ-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 53.79
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;hex-1-yne?
The IUPAC name of tert-butyl-hydroxy-dimethylsilane;hex-1-yne (CID 87257098) is tert-butyl-hydroxy-dimethylsilane;hex-1-yne.
What is the SMILES notation for tert-butyl-hydroxy-dimethylsilane;hex-1-yne?
The canonical SMILES for tert-butyl-hydroxy-dimethylsilane;hex-1-yne is C#CCCCC.CC(C)(C)[Si](C)(C)O.
What is the InChIKey of tert-butyl-hydroxy-dimethylsilane;hex-1-yne?
The InChIKey is WIZOOPAURNGYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16OSi.C6H10/c1-6(2,3)8(4,5)7;1-3-5-6-4-2/h7H,1-5H3;1H,4-6H2,2H3.
What are the key properties of tert-butyl-hydroxy-dimethylsilane;hex-1-yne?
tert-butyl-hydroxy-dimethylsilane;hex-1-yne has a molecular weight of 214.42 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-hydroxy-dimethylsilane;hex-1-yne is sourced from PubChem (CID 87257098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).