tert-butyl-[1-[3-iodo-1-(methoxymethyl)indol-2-yl]prop-2-enoxy]-dimethylsilane

C19H28INO2Si — CID 134949002

IUPACtert-butyl-[1-[3-iodo-1-(methoxymethyl)indol-2-yl]prop-2-enoxy]-dimethylsilane
SMILESC=CC(O[Si](C)(C)C(C)(C)C)c1c(I)c2ccccc2n1COC
InChIInChI=1S/C19H28INO2Si/c1-8-16(23-24(6,7)19(2,3)4)18-17(20)14-11-9-10-12-15(14)21(18)13-22-5/h8-12,16H,1,13H2,2-7H3
InChIKeyYVCQZOFYIAGVPH-UHFFFAOYSA-N
MW457.43 g/mol
LogP6.10
Rot. Bonds6

About tert-butyl-[1-[3-iodo-1-(methoxymethyl)indol-2-yl]prop-2-enoxy]-dimethylsilane

tert-butyl-[1-[3-iodo-1-(methoxymethyl)indol-2-yl]prop-2-enoxy]-dimethylsilane (PubChem CID 134949002) has the molecular formula C19H28INO2Si and a molecular weight of 457.43 g/mol. Its IUPAC name is tert-butyl-[1-[3-iodo-1-(methoxymethyl)indol-2-yl]prop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[3-iodo-1-(methoxymethyl)indol-2-yl]prop-2-enoxy]-dimethylsilane
PubChem CID134949002
Molecular FormulaC19H28INO2Si
Molecular Weight457.43 g/mol
Exact Mass457.09
IUPAC Nametert-butyl-[1-[3-iodo-1-(methoxymethyl)indol-2-yl]prop-2-enoxy]-dimethylsilane
SMILESC=CC(O[Si](C)(C)C(C)(C)C)c1c(I)c2ccccc2n1COC
InChIInChI=1S/C19H28INO2Si/c1-8-16(23-24(6,7)19(2,3)4)18-17(20)14-11-9-10-12-15(14)21(18)13-22-5/h8-12,16H,1,13H2,2-7H3
InChIKeyYVCQZOFYIAGVPH-UHFFFAOYSA-N
XLogP6.10
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.43
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[3-iodo-1-(methoxymethyl)indol-2-yl]prop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-[3-iodo-1-(methoxymethyl)indol-2-yl]prop-2-enoxy]-dimethylsilane (CID 134949002) is tert-butyl-[1-[3-iodo-1-(methoxymethyl)indol-2-yl]prop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[3-iodo-1-(methoxymethyl)indol-2-yl]prop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[3-iodo-1-(methoxymethyl)indol-2-yl]prop-2-enoxy]-dimethylsilane is C=CC(O[Si](C)(C)C(C)(C)C)c1c(I)c2ccccc2n1COC.
What is the InChIKey of tert-butyl-[1-[3-iodo-1-(methoxymethyl)indol-2-yl]prop-2-enoxy]-dimethylsilane?
The InChIKey is YVCQZOFYIAGVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28INO2Si/c1-8-16(23-24(6,7)19(2,3)4)18-17(20)14-11-9-10-12-15(14)21(18)13-22-5/h8-12,16H,1,13H2,2-7H3.
What are the key properties of tert-butyl-[1-[3-iodo-1-(methoxymethyl)indol-2-yl]prop-2-enoxy]-dimethylsilane?
tert-butyl-[1-[3-iodo-1-(methoxymethyl)indol-2-yl]prop-2-enoxy]-dimethylsilane has a molecular weight of 457.43 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[3-iodo-1-(methoxymethyl)indol-2-yl]prop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 134949002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).