tert-butyl-dimethyl-[3-(2-methylpyrazol-3-yl)oxybutoxy]silane

C14H28N2O2Si — CID 174156238

IUPACtert-butyl-dimethyl-[3-(2-methylpyrazol-3-yl)oxybutoxy]silane
SMILESCC(CCO[Si](C)(C)C(C)(C)C)Oc1ccnn1C
InChIInChI=1S/C14H28N2O2Si/c1-12(18-13-8-10-15-16(13)5)9-11-17-19(6,7)14(2,3)4/h8,10,12H,9,11H2,1-7H3
InChIKeyOTWGIKYBWSIXGT-UHFFFAOYSA-N
MW284.48 g/mol
LogP3.60
Rot. Bonds6

About tert-butyl-dimethyl-[3-(2-methylpyrazol-3-yl)oxybutoxy]silane

tert-butyl-dimethyl-[3-(2-methylpyrazol-3-yl)oxybutoxy]silane (PubChem CID 174156238) has the molecular formula C14H28N2O2Si and a molecular weight of 284.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(2-methylpyrazol-3-yl)oxybutoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(2-methylpyrazol-3-yl)oxybutoxy]silane
PubChem CID174156238
Molecular FormulaC14H28N2O2Si
Molecular Weight284.48 g/mol
Exact Mass284.19
IUPAC Nametert-butyl-dimethyl-[3-(2-methylpyrazol-3-yl)oxybutoxy]silane
SMILESCC(CCO[Si](C)(C)C(C)(C)C)Oc1ccnn1C
InChIInChI=1S/C14H28N2O2Si/c1-12(18-13-8-10-15-16(13)5)9-11-17-19(6,7)14(2,3)4/h8,10,12H,9,11H2,1-7H3
InChIKeyOTWGIKYBWSIXGT-UHFFFAOYSA-N
XLogP3.60
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.48
LogP ≤ 53.60
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 tert-butyl-dimethyl-[3-(2-methylpyrazol-3-yl)oxybutoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-(2-methylpyrazol-3-yl)oxybutoxy]silane (CID 174156238) is tert-butyl-dimethyl-[3-(2-methylpyrazol-3-yl)oxybutoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(2-methylpyrazol-3-yl)oxybutoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-(2-methylpyrazol-3-yl)oxybutoxy]silane is CC(CCO[Si](C)(C)C(C)(C)C)Oc1ccnn1C.
What is the InChIKey of tert-butyl-dimethyl-[3-(2-methylpyrazol-3-yl)oxybutoxy]silane?
The InChIKey is OTWGIKYBWSIXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2Si/c1-12(18-13-8-10-15-16(13)5)9-11-17-19(6,7)14(2,3)4/h8,10,12H,9,11H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-[3-(2-methylpyrazol-3-yl)oxybutoxy]silane?
tert-butyl-dimethyl-[3-(2-methylpyrazol-3-yl)oxybutoxy]silane has a molecular weight of 284.48 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(2-methylpyrazol-3-yl)oxybutoxy]silane is sourced from PubChem (CID 174156238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).