tert-butyl-dimethyl-[4-(1-methylimidazol-4-yl)butoxy]silane

C14H28N2OSi — CID 58827217

IUPACtert-butyl-dimethyl-[4-(1-methylimidazol-4-yl)butoxy]silane
SMILESCn1cnc(CCCCO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C14H28N2OSi/c1-14(2,3)18(5,6)17-10-8-7-9-13-11-16(4)12-15-13/h11-12H,7-10H2,1-6H3
InChIKeyFSBQJTTYEJXINT-UHFFFAOYSA-N
MW268.48 g/mol
LogP3.76
Rot. Bonds6

About tert-butyl-dimethyl-[4-(1-methylimidazol-4-yl)butoxy]silane

tert-butyl-dimethyl-[4-(1-methylimidazol-4-yl)butoxy]silane (PubChem CID 58827217) has the molecular formula C14H28N2OSi and a molecular weight of 268.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-(1-methylimidazol-4-yl)butoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-(1-methylimidazol-4-yl)butoxy]silane
PubChem CID58827217
Molecular FormulaC14H28N2OSi
Molecular Weight268.48 g/mol
Exact Mass268.20
IUPAC Nametert-butyl-dimethyl-[4-(1-methylimidazol-4-yl)butoxy]silane
SMILESCn1cnc(CCCCO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C14H28N2OSi/c1-14(2,3)18(5,6)17-10-8-7-9-13-11-16(4)12-15-13/h11-12H,7-10H2,1-6H3
InChIKeyFSBQJTTYEJXINT-UHFFFAOYSA-N
XLogP3.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-dimethyl-[4-(1-methylimidazol-4-yl)butoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[4-(1-methylimidazol-4-yl)butoxy]silane (CID 58827217) is tert-butyl-dimethyl-[4-(1-methylimidazol-4-yl)butoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-(1-methylimidazol-4-yl)butoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-(1-methylimidazol-4-yl)butoxy]silane is Cn1cnc(CCCCO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of tert-butyl-dimethyl-[4-(1-methylimidazol-4-yl)butoxy]silane?
The InChIKey is FSBQJTTYEJXINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OSi/c1-14(2,3)18(5,6)17-10-8-7-9-13-11-16(4)12-15-13/h11-12H,7-10H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[4-(1-methylimidazol-4-yl)butoxy]silane?
tert-butyl-dimethyl-[4-(1-methylimidazol-4-yl)butoxy]silane has a molecular weight of 268.48 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-(1-methylimidazol-4-yl)butoxy]silane is sourced from PubChem (CID 58827217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).