bromomethyl-dimethyl-oct-1-yn-3-yloxysilane

C11H21BrOSi — CID 10333708

IUPACbromomethyl-dimethyl-oct-1-yn-3-yloxysilane
SMILESC#CC(CCCCC)O[Si](C)(C)CBr
InChIInChI=1S/C11H21BrOSi/c1-5-7-8-9-11(6-2)13-14(3,4)10-12/h2,11H,5,7-10H2,1,3-4H3
InChIKeyKNJHDFLAPPMYFF-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.72
Rot. Bonds7

About bromomethyl-dimethyl-oct-1-yn-3-yloxysilane

bromomethyl-dimethyl-oct-1-yn-3-yloxysilane (PubChem CID 10333708) has the molecular formula C11H21BrOSi and a molecular weight of 277.28 g/mol. Its IUPAC name is bromomethyl-dimethyl-oct-1-yn-3-yloxysilane.

Molecular Properties

Compound Namebromomethyl-dimethyl-oct-1-yn-3-yloxysilane
PubChem CID10333708
Molecular FormulaC11H21BrOSi
Molecular Weight277.28 g/mol
Exact Mass276.05
IUPAC Namebromomethyl-dimethyl-oct-1-yn-3-yloxysilane
SMILESC#CC(CCCCC)O[Si](C)(C)CBr
InChIInChI=1S/C11H21BrOSi/c1-5-7-8-9-11(6-2)13-14(3,4)10-12/h2,11H,5,7-10H2,1,3-4H3
InChIKeyKNJHDFLAPPMYFF-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 bromomethyl-dimethyl-oct-1-yn-3-yloxysilane?
The IUPAC name of bromomethyl-dimethyl-oct-1-yn-3-yloxysilane (CID 10333708) is bromomethyl-dimethyl-oct-1-yn-3-yloxysilane.
What is the SMILES notation for bromomethyl-dimethyl-oct-1-yn-3-yloxysilane?
The canonical SMILES for bromomethyl-dimethyl-oct-1-yn-3-yloxysilane is C#CC(CCCCC)O[Si](C)(C)CBr.
What is the InChIKey of bromomethyl-dimethyl-oct-1-yn-3-yloxysilane?
The InChIKey is KNJHDFLAPPMYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrOSi/c1-5-7-8-9-11(6-2)13-14(3,4)10-12/h2,11H,5,7-10H2,1,3-4H3.
What are the key properties of bromomethyl-dimethyl-oct-1-yn-3-yloxysilane?
bromomethyl-dimethyl-oct-1-yn-3-yloxysilane has a molecular weight of 277.28 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-dimethyl-oct-1-yn-3-yloxysilane is sourced from PubChem (CID 10333708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).