tert-butyl-(2,3-dimethylchromenylium-4-yl)oxy-dimethylsilane

C17H25O2Si+ — CID 134911468

IUPACtert-butyl-(2,3-dimethylchromenylium-4-yl)oxy-dimethylsilane
SMILESCc1[o+]c2ccccc2c(O[Si](C)(C)C(C)(C)C)c1C
InChIInChI=1S/C17H25O2Si/c1-12-13(2)18-15-11-9-8-10-14(15)16(12)19-20(6,7)17(3,4)5/h8-11H,1-7H3/q+1
InChIKeyCXRRBDBFWDTTEA-UHFFFAOYSA-N
MW289.47 g/mol
LogP5.71
Rot. Bonds2

About tert-butyl-(2,3-dimethylchromenylium-4-yl)oxy-dimethylsilane

tert-butyl-(2,3-dimethylchromenylium-4-yl)oxy-dimethylsilane (PubChem CID 134911468) has the molecular formula C17H25O2Si+ and a molecular weight of 289.47 g/mol. Its IUPAC name is tert-butyl-(2,3-dimethylchromenylium-4-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2,3-dimethylchromenylium-4-yl)oxy-dimethylsilane
PubChem CID134911468
Molecular FormulaC17H25O2Si+
Molecular Weight289.47 g/mol
Exact Mass289.16
IUPAC Nametert-butyl-(2,3-dimethylchromenylium-4-yl)oxy-dimethylsilane
SMILESCc1[o+]c2ccccc2c(O[Si](C)(C)C(C)(C)C)c1C
InChIInChI=1S/C17H25O2Si/c1-12-13(2)18-15-11-9-8-10-14(15)16(12)19-20(6,7)17(3,4)5/h8-11H,1-7H3/q+1
InChIKeyCXRRBDBFWDTTEA-UHFFFAOYSA-N
XLogP5.71
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.47
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Xanthone
CID 7020
Anthocyanins
CID 145858
2'-Methoxyflavone
CID 146492
2,2-Dimethyl-chroman-4-one
CID 7454290
2-Pentylchromen-4-one
CID 6612856
2-(2-Methoxyphenyl)-2,3-dihydrochromen-4-one
CID 12588453
2,2-Dimethyl-3-methylene-4-chromanone
CID 578589
2-Pentylchroman-4-one
CID 66560224
Wufyomnenldutf-uhfffaoysa-
CID 4073410
2-(4-Trimethylsilylphenyl)chromen-4-one
CID 66553949
2-(2-Ethoxyphenyl)-2,3-dihydrochromen-4-one
CID 114671461
2-(2-Propoxyphenyl)-2,3-dihydrochromen-4-one
CID 118728772

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2,3-dimethylchromenylium-4-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(2,3-dimethylchromenylium-4-yl)oxy-dimethylsilane (CID 134911468) is tert-butyl-(2,3-dimethylchromenylium-4-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(2,3-dimethylchromenylium-4-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(2,3-dimethylchromenylium-4-yl)oxy-dimethylsilane is Cc1[o+]c2ccccc2c(O[Si](C)(C)C(C)(C)C)c1C.
What is the InChIKey of tert-butyl-(2,3-dimethylchromenylium-4-yl)oxy-dimethylsilane?
The InChIKey is CXRRBDBFWDTTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25O2Si/c1-12-13(2)18-15-11-9-8-10-14(15)16(12)19-20(6,7)17(3,4)5/h8-11H,1-7H3/q+1.
What are the key properties of tert-butyl-(2,3-dimethylchromenylium-4-yl)oxy-dimethylsilane?
tert-butyl-(2,3-dimethylchromenylium-4-yl)oxy-dimethylsilane has a molecular weight of 289.47 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2,3-dimethylchromenylium-4-yl)oxy-dimethylsilane is sourced from PubChem (CID 134911468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).