3-methylbut-1-ynyl-di(propan-2-yl)silane;hydrobromide

C11H23BrSi — CID 174144573

IUPAC3-methylbut-1-ynyl-di(propan-2-yl)silane;hydrobromide
SMILESBr.CC(C)C#C[SiH](C(C)C)C(C)C
InChIInChI=1S/C11H22Si.BrH/c1-9(2)7-8-12(10(3)4)11(5)6;/h9-12H,1-6H3;1H
InChIKeyFPTJWWYPRVIDDD-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.81
Rot. Bonds2

About 3-methylbut-1-ynyl-di(propan-2-yl)silane;hydrobromide

3-methylbut-1-ynyl-di(propan-2-yl)silane;hydrobromide (PubChem CID 174144573) has the molecular formula C11H23BrSi and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-methylbut-1-ynyl-di(propan-2-yl)silane;hydrobromide.

Molecular Properties

Compound Name3-methylbut-1-ynyl-di(propan-2-yl)silane;hydrobromide
PubChem CID174144573
Molecular FormulaC11H23BrSi
Molecular Weight263.29 g/mol
Exact Mass262.08
IUPAC Name3-methylbut-1-ynyl-di(propan-2-yl)silane;hydrobromide
SMILESBr.CC(C)C#C[SiH](C(C)C)C(C)C
InChIInChI=1S/C11H22Si.BrH/c1-9(2)7-8-12(10(3)4)11(5)6;/h9-12H,1-6H3;1H
InChIKeyFPTJWWYPRVIDDD-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 3-methylbut-1-ynyl-di(propan-2-yl)silane;hydrobromide?
The IUPAC name of 3-methylbut-1-ynyl-di(propan-2-yl)silane;hydrobromide (CID 174144573) is 3-methylbut-1-ynyl-di(propan-2-yl)silane;hydrobromide.
What is the SMILES notation for 3-methylbut-1-ynyl-di(propan-2-yl)silane;hydrobromide?
The canonical SMILES for 3-methylbut-1-ynyl-di(propan-2-yl)silane;hydrobromide is Br.CC(C)C#C[SiH](C(C)C)C(C)C.
What is the InChIKey of 3-methylbut-1-ynyl-di(propan-2-yl)silane;hydrobromide?
The InChIKey is FPTJWWYPRVIDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Si.BrH/c1-9(2)7-8-12(10(3)4)11(5)6;/h9-12H,1-6H3;1H.
What are the key properties of 3-methylbut-1-ynyl-di(propan-2-yl)silane;hydrobromide?
3-methylbut-1-ynyl-di(propan-2-yl)silane;hydrobromide has a molecular weight of 263.29 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-1-ynyl-di(propan-2-yl)silane;hydrobromide is sourced from PubChem (CID 174144573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).