6-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dimethylimidazol-4-yl)-2-methylhexan-1-one

C18H34N2O2Si — CID 135059280

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dimethylimidazol-4-yl)-2-methylhexan-1-one
SMILESCc1ncc(C(=O)C(C)CCCCO[Si](C)(C)C(C)(C)C)n1C
InChIInChI=1S/C18H34N2O2Si/c1-14(17(21)16-13-19-15(2)20(16)6)11-9-10-12-22-23(7,8)18(3,4)5/h13-14H,9-12H2,1-8H3
InChIKeyFWBHNXPIKGBPNT-UHFFFAOYSA-N
MW338.57 g/mol
LogP4.74
Rot. Bonds8

About 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dimethylimidazol-4-yl)-2-methylhexan-1-one

6-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dimethylimidazol-4-yl)-2-methylhexan-1-one (PubChem CID 135059280) has the molecular formula C18H34N2O2Si and a molecular weight of 338.57 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dimethylimidazol-4-yl)-2-methylhexan-1-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dimethylimidazol-4-yl)-2-methylhexan-1-one
PubChem CID135059280
Molecular FormulaC18H34N2O2Si
Molecular Weight338.57 g/mol
Exact Mass338.24
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dimethylimidazol-4-yl)-2-methylhexan-1-one
SMILESCc1ncc(C(=O)C(C)CCCCO[Si](C)(C)C(C)(C)C)n1C
InChIInChI=1S/C18H34N2O2Si/c1-14(17(21)16-13-19-15(2)20(16)6)11-9-10-12-22-23(7,8)18(3,4)5/h13-14H,9-12H2,1-8H3
InChIKeyFWBHNXPIKGBPNT-UHFFFAOYSA-N
XLogP4.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.57
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dimethylimidazol-4-yl)-2-methylhexan-1-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dimethylimidazol-4-yl)-2-methylhexan-1-one (CID 135059280) is 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dimethylimidazol-4-yl)-2-methylhexan-1-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dimethylimidazol-4-yl)-2-methylhexan-1-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dimethylimidazol-4-yl)-2-methylhexan-1-one is Cc1ncc(C(=O)C(C)CCCCO[Si](C)(C)C(C)(C)C)n1C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dimethylimidazol-4-yl)-2-methylhexan-1-one?
The InChIKey is FWBHNXPIKGBPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2Si/c1-14(17(21)16-13-19-15(2)20(16)6)11-9-10-12-22-23(7,8)18(3,4)5/h13-14H,9-12H2,1-8H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dimethylimidazol-4-yl)-2-methylhexan-1-one?
6-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dimethylimidazol-4-yl)-2-methylhexan-1-one has a molecular weight of 338.57 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,3-dimethylimidazol-4-yl)-2-methylhexan-1-one is sourced from PubChem (CID 135059280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).