2-bromoethoxy-di(propan-2-yl)-prop-2-enoxysilane

C11H23BrO2Si — CID 15733643

IUPAC2-bromoethoxy-di(propan-2-yl)-prop-2-enoxysilane
SMILESC=CCO[Si](OCCBr)(C(C)C)C(C)C
InChIInChI=1S/C11H23BrO2Si/c1-6-8-13-15(10(2)3,11(4)5)14-9-7-12/h6,10-11H,1,7-9H2,2-5H3
InChIKeyHJVVZWZLQOOYFS-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.86
Rot. Bonds8

About 2-bromoethoxy-di(propan-2-yl)-prop-2-enoxysilane

2-bromoethoxy-di(propan-2-yl)-prop-2-enoxysilane (PubChem CID 15733643) has the molecular formula C11H23BrO2Si and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-bromoethoxy-di(propan-2-yl)-prop-2-enoxysilane.

Molecular Properties

Compound Name2-bromoethoxy-di(propan-2-yl)-prop-2-enoxysilane
PubChem CID15733643
Molecular FormulaC11H23BrO2Si
Molecular Weight295.29 g/mol
Exact Mass294.07
IUPAC Name2-bromoethoxy-di(propan-2-yl)-prop-2-enoxysilane
SMILESC=CCO[Si](OCCBr)(C(C)C)C(C)C
InChIInChI=1S/C11H23BrO2Si/c1-6-8-13-15(10(2)3,11(4)5)14-9-7-12/h6,10-11H,1,7-9H2,2-5H3
InChIKeyHJVVZWZLQOOYFS-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 2-bromoethoxy-di(propan-2-yl)-prop-2-enoxysilane?
The IUPAC name of 2-bromoethoxy-di(propan-2-yl)-prop-2-enoxysilane (CID 15733643) is 2-bromoethoxy-di(propan-2-yl)-prop-2-enoxysilane.
What is the SMILES notation for 2-bromoethoxy-di(propan-2-yl)-prop-2-enoxysilane?
The canonical SMILES for 2-bromoethoxy-di(propan-2-yl)-prop-2-enoxysilane is C=CCO[Si](OCCBr)(C(C)C)C(C)C.
What is the InChIKey of 2-bromoethoxy-di(propan-2-yl)-prop-2-enoxysilane?
The InChIKey is HJVVZWZLQOOYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrO2Si/c1-6-8-13-15(10(2)3,11(4)5)14-9-7-12/h6,10-11H,1,7-9H2,2-5H3.
What are the key properties of 2-bromoethoxy-di(propan-2-yl)-prop-2-enoxysilane?
2-bromoethoxy-di(propan-2-yl)-prop-2-enoxysilane has a molecular weight of 295.29 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethoxy-di(propan-2-yl)-prop-2-enoxysilane is sourced from PubChem (CID 15733643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).