3-(4-bromo-1-methylpyrazol-5-yl)oxybutoxy-tert-butyl-dimethylsilane

C14H27BrN2O2Si — CID 174156338

IUPAC3-(4-bromo-1-methylpyrazol-5-yl)oxybutoxy-tert-butyl-dimethylsilane
SMILESCC(CCO[Si](C)(C)C(C)(C)C)Oc1c(Br)cnn1C
InChIInChI=1S/C14H27BrN2O2Si/c1-11(19-13-12(15)10-16-17(13)5)8-9-18-20(6,7)14(2,3)4/h10-11H,8-9H2,1-7H3
InChIKeyLNLABJUUZBWLRW-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.36
Rot. Bonds6

About 3-(4-bromo-1-methylpyrazol-5-yl)oxybutoxy-tert-butyl-dimethylsilane

3-(4-bromo-1-methylpyrazol-5-yl)oxybutoxy-tert-butyl-dimethylsilane (PubChem CID 174156338) has the molecular formula C14H27BrN2O2Si and a molecular weight of 363.37 g/mol. Its IUPAC name is 3-(4-bromo-1-methylpyrazol-5-yl)oxybutoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name3-(4-bromo-1-methylpyrazol-5-yl)oxybutoxy-tert-butyl-dimethylsilane
PubChem CID174156338
Molecular FormulaC14H27BrN2O2Si
Molecular Weight363.37 g/mol
Exact Mass362.10
IUPAC Name3-(4-bromo-1-methylpyrazol-5-yl)oxybutoxy-tert-butyl-dimethylsilane
SMILESCC(CCO[Si](C)(C)C(C)(C)C)Oc1c(Br)cnn1C
InChIInChI=1S/C14H27BrN2O2Si/c1-11(19-13-12(15)10-16-17(13)5)8-9-18-20(6,7)14(2,3)4/h10-11H,8-9H2,1-7H3
InChIKeyLNLABJUUZBWLRW-UHFFFAOYSA-N
XLogP4.36
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-(4-bromo-1-methylpyrazol-5-yl)oxybutoxy-tert-butyl-dimethylsilane?
The IUPAC name of 3-(4-bromo-1-methylpyrazol-5-yl)oxybutoxy-tert-butyl-dimethylsilane (CID 174156338) is 3-(4-bromo-1-methylpyrazol-5-yl)oxybutoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 3-(4-bromo-1-methylpyrazol-5-yl)oxybutoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 3-(4-bromo-1-methylpyrazol-5-yl)oxybutoxy-tert-butyl-dimethylsilane is CC(CCO[Si](C)(C)C(C)(C)C)Oc1c(Br)cnn1C.
What is the InChIKey of 3-(4-bromo-1-methylpyrazol-5-yl)oxybutoxy-tert-butyl-dimethylsilane?
The InChIKey is LNLABJUUZBWLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrN2O2Si/c1-11(19-13-12(15)10-16-17(13)5)8-9-18-20(6,7)14(2,3)4/h10-11H,8-9H2,1-7H3.
What are the key properties of 3-(4-bromo-1-methylpyrazol-5-yl)oxybutoxy-tert-butyl-dimethylsilane?
3-(4-bromo-1-methylpyrazol-5-yl)oxybutoxy-tert-butyl-dimethylsilane has a molecular weight of 363.37 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-methylpyrazol-5-yl)oxybutoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 174156338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).