(5-bromo-4-chloro-1-methylindol-2-yl)methoxy-tert-butyl-dimethylsilane

C16H23BrClNOSi — CID 71282104

IUPAC(5-bromo-4-chloro-1-methylindol-2-yl)methoxy-tert-butyl-dimethylsilane
SMILESCn1c(CO[Si](C)(C)C(C)(C)C)cc2c(Cl)c(Br)ccc21
InChIInChI=1S/C16H23BrClNOSi/c1-16(2,3)21(5,6)20-10-11-9-12-14(19(11)4)8-7-13(17)15(12)18/h7-9H,10H2,1-6H3
InChIKeyVCRJIEVKRPYYQQ-UHFFFAOYSA-N
MW388.81 g/mol
LogP6.12
Rot. Bonds3

About (5-bromo-4-chloro-1-methylindol-2-yl)methoxy-tert-butyl-dimethylsilane

(5-bromo-4-chloro-1-methylindol-2-yl)methoxy-tert-butyl-dimethylsilane (PubChem CID 71282104) has the molecular formula C16H23BrClNOSi and a molecular weight of 388.81 g/mol. Its IUPAC name is (5-bromo-4-chloro-1-methylindol-2-yl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(5-bromo-4-chloro-1-methylindol-2-yl)methoxy-tert-butyl-dimethylsilane
PubChem CID71282104
Molecular FormulaC16H23BrClNOSi
Molecular Weight388.81 g/mol
Exact Mass387.04
IUPAC Name(5-bromo-4-chloro-1-methylindol-2-yl)methoxy-tert-butyl-dimethylsilane
SMILESCn1c(CO[Si](C)(C)C(C)(C)C)cc2c(Cl)c(Br)ccc21
InChIInChI=1S/C16H23BrClNOSi/c1-16(2,3)21(5,6)20-10-11-9-12-14(19(11)4)8-7-13(17)15(12)18/h7-9H,10H2,1-6H3
InChIKeyVCRJIEVKRPYYQQ-UHFFFAOYSA-N
XLogP6.12
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.81
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chloro-1-methylindol-2-yl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (5-bromo-4-chloro-1-methylindol-2-yl)methoxy-tert-butyl-dimethylsilane (CID 71282104) is (5-bromo-4-chloro-1-methylindol-2-yl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (5-bromo-4-chloro-1-methylindol-2-yl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (5-bromo-4-chloro-1-methylindol-2-yl)methoxy-tert-butyl-dimethylsilane is Cn1c(CO[Si](C)(C)C(C)(C)C)cc2c(Cl)c(Br)ccc21.
What is the InChIKey of (5-bromo-4-chloro-1-methylindol-2-yl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is VCRJIEVKRPYYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClNOSi/c1-16(2,3)21(5,6)20-10-11-9-12-14(19(11)4)8-7-13(17)15(12)18/h7-9H,10H2,1-6H3.
What are the key properties of (5-bromo-4-chloro-1-methylindol-2-yl)methoxy-tert-butyl-dimethylsilane?
(5-bromo-4-chloro-1-methylindol-2-yl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 388.81 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chloro-1-methylindol-2-yl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 71282104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).