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

C17H36OSi — CID 87257110

IUPACtert-butyl-hydroxy-dimethylsilane;undec-1-yne
SMILESC#CCCCCCCCCC.CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C11H20.C6H16OSi/c1-3-5-7-9-11-10-8-6-4-2;1-6(2,3)8(4,5)7/h1H,4-11H2,2H3;7H,1-5H3
InChIKeyAIRDOSAPMQRSMZ-UHFFFAOYSA-N
MW284.56 g/mol
LogP5.74
Rot. Bonds7

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

tert-butyl-hydroxy-dimethylsilane;undec-1-yne (PubChem CID 87257110) has the molecular formula C17H36OSi and a molecular weight of 284.56 g/mol. Its IUPAC name is tert-butyl-hydroxy-dimethylsilane;undec-1-yne.

Molecular Properties

Compound Nametert-butyl-hydroxy-dimethylsilane;undec-1-yne
PubChem CID87257110
Molecular FormulaC17H36OSi
Molecular Weight284.56 g/mol
Exact Mass284.25
IUPAC Nametert-butyl-hydroxy-dimethylsilane;undec-1-yne
SMILESC#CCCCCCCCCC.CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C11H20.C6H16OSi/c1-3-5-7-9-11-10-8-6-4-2;1-6(2,3)8(4,5)7/h1H,4-11H2,2H3;7H,1-5H3
InChIKeyAIRDOSAPMQRSMZ-UHFFFAOYSA-N
XLogP5.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.56
LogP ≤ 55.74
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;undec-1-yne?
The IUPAC name of tert-butyl-hydroxy-dimethylsilane;undec-1-yne (CID 87257110) is tert-butyl-hydroxy-dimethylsilane;undec-1-yne.
What is the SMILES notation for tert-butyl-hydroxy-dimethylsilane;undec-1-yne?
The canonical SMILES for tert-butyl-hydroxy-dimethylsilane;undec-1-yne is C#CCCCCCCCCC.CC(C)(C)[Si](C)(C)O.
What is the InChIKey of tert-butyl-hydroxy-dimethylsilane;undec-1-yne?
The InChIKey is AIRDOSAPMQRSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.C6H16OSi/c1-3-5-7-9-11-10-8-6-4-2;1-6(2,3)8(4,5)7/h1H,4-11H2,2H3;7H,1-5H3.
What are the key properties of tert-butyl-hydroxy-dimethylsilane;undec-1-yne?
tert-butyl-hydroxy-dimethylsilane;undec-1-yne has a molecular weight of 284.56 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-hydroxy-dimethylsilane;undec-1-yne is sourced from PubChem (CID 87257110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).