(5-bromoisoquinolin-1-yl)methoxy-tert-butyl-dimethylsilane;iodoform

C17H23BrI3NOSi — CID 123574370

IUPAC(5-bromoisoquinolin-1-yl)methoxy-tert-butyl-dimethylsilane;iodoform
SMILESCC(C)(C)[Si](C)(C)OCc1nccc2c(Br)cccc12.IC(I)I
InChIInChI=1S/C16H22BrNOSi.CHI3/c1-16(2,3)20(4,5)19-11-15-13-7-6-8-14(17)12(13)9-10-18-15;2-1(3)4/h6-10H,11H2,1-5H3;1H
InChIKeyHSOVYQGEZVNMTB-UHFFFAOYSA-N
MW746.08 g/mol
LogP8.09
Rot. Bonds3

About (5-bromoisoquinolin-1-yl)methoxy-tert-butyl-dimethylsilane;iodoform

(5-bromoisoquinolin-1-yl)methoxy-tert-butyl-dimethylsilane;iodoform (PubChem CID 123574370) has the molecular formula C17H23BrI3NOSi and a molecular weight of 746.08 g/mol. Its IUPAC name is (5-bromoisoquinolin-1-yl)methoxy-tert-butyl-dimethylsilane;iodoform.

Molecular Properties

Compound Name(5-bromoisoquinolin-1-yl)methoxy-tert-butyl-dimethylsilane;iodoform
PubChem CID123574370
Molecular FormulaC17H23BrI3NOSi
Molecular Weight746.08 g/mol
Exact Mass744.79
IUPAC Name(5-bromoisoquinolin-1-yl)methoxy-tert-butyl-dimethylsilane;iodoform
SMILESCC(C)(C)[Si](C)(C)OCc1nccc2c(Br)cccc12.IC(I)I
InChIInChI=1S/C16H22BrNOSi.CHI3/c1-16(2,3)20(4,5)19-11-15-13-7-6-8-14(17)12(13)9-10-18-15;2-1(3)4/h6-10H,11H2,1-5H3;1H
InChIKeyHSOVYQGEZVNMTB-UHFFFAOYSA-N
XLogP8.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.08
LogP ≤ 58.09
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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-bromoisoquinolin-1-yl)methoxy-tert-butyl-dimethylsilane;iodoform?
The IUPAC name of (5-bromoisoquinolin-1-yl)methoxy-tert-butyl-dimethylsilane;iodoform (CID 123574370) is (5-bromoisoquinolin-1-yl)methoxy-tert-butyl-dimethylsilane;iodoform.
What is the SMILES notation for (5-bromoisoquinolin-1-yl)methoxy-tert-butyl-dimethylsilane;iodoform?
The canonical SMILES for (5-bromoisoquinolin-1-yl)methoxy-tert-butyl-dimethylsilane;iodoform is CC(C)(C)[Si](C)(C)OCc1nccc2c(Br)cccc12.IC(I)I.
What is the InChIKey of (5-bromoisoquinolin-1-yl)methoxy-tert-butyl-dimethylsilane;iodoform?
The InChIKey is HSOVYQGEZVNMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNOSi.CHI3/c1-16(2,3)20(4,5)19-11-15-13-7-6-8-14(17)12(13)9-10-18-15;2-1(3)4/h6-10H,11H2,1-5H3;1H.
What are the key properties of (5-bromoisoquinolin-1-yl)methoxy-tert-butyl-dimethylsilane;iodoform?
(5-bromoisoquinolin-1-yl)methoxy-tert-butyl-dimethylsilane;iodoform has a molecular weight of 746.08 g/mol, XLogP of 8.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromoisoquinolin-1-yl)methoxy-tert-butyl-dimethylsilane;iodoform is sourced from PubChem (CID 123574370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).