bromomethyl-dimethyl-oct-1-en-3-yloxysilane

C11H23BrOSi — CID 91734154

IUPACbromomethyl-dimethyl-oct-1-en-3-yloxysilane
SMILESC=CC(CCCCC)O[Si](C)(C)CBr
InChIInChI=1S/C11H23BrOSi/c1-5-7-8-9-11(6-2)13-14(3,4)10-12/h6,11H,2,5,7-10H2,1,3-4H3
InChIKeyBVTBLIDNSFQGRO-UHFFFAOYSA-N
MW279.29 g/mol
LogP4.28
Rot. Bonds8

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

bromomethyl-dimethyl-oct-1-en-3-yloxysilane (PubChem CID 91734154) has the molecular formula C11H23BrOSi and a molecular weight of 279.29 g/mol. Its IUPAC name is bromomethyl-dimethyl-oct-1-en-3-yloxysilane.

Molecular Properties

Compound Namebromomethyl-dimethyl-oct-1-en-3-yloxysilane
PubChem CID91734154
Molecular FormulaC11H23BrOSi
Molecular Weight279.29 g/mol
Exact Mass278.07
IUPAC Namebromomethyl-dimethyl-oct-1-en-3-yloxysilane
SMILESC=CC(CCCCC)O[Si](C)(C)CBr
InChIInChI=1S/C11H23BrOSi/c1-5-7-8-9-11(6-2)13-14(3,4)10-12/h6,11H,2,5,7-10H2,1,3-4H3
InChIKeyBVTBLIDNSFQGRO-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 54.28
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromomethyl-dimethyl-oct-1-en-3-yloxysilane?
The IUPAC name of bromomethyl-dimethyl-oct-1-en-3-yloxysilane (CID 91734154) is bromomethyl-dimethyl-oct-1-en-3-yloxysilane.
What is the SMILES notation for bromomethyl-dimethyl-oct-1-en-3-yloxysilane?
The canonical SMILES for bromomethyl-dimethyl-oct-1-en-3-yloxysilane is C=CC(CCCCC)O[Si](C)(C)CBr.
What is the InChIKey of bromomethyl-dimethyl-oct-1-en-3-yloxysilane?
The InChIKey is BVTBLIDNSFQGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrOSi/c1-5-7-8-9-11(6-2)13-14(3,4)10-12/h6,11H,2,5,7-10H2,1,3-4H3.
What are the key properties of bromomethyl-dimethyl-oct-1-en-3-yloxysilane?
bromomethyl-dimethyl-oct-1-en-3-yloxysilane has a molecular weight of 279.29 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-dimethyl-oct-1-en-3-yloxysilane is sourced from PubChem (CID 91734154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).