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

C13H26N2O2Si — CID 170618121

IUPACtert-butyl-dimethyl-[(2S)-2-(2-methylpyrazol-3-yl)oxypropoxy]silane
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)Oc1ccnn1C
InChIInChI=1S/C13H26N2O2Si/c1-11(17-12-8-9-14-15(12)5)10-16-18(6,7)13(2,3)4/h8-9,11H,10H2,1-7H3/t11-/m0/s1
InChIKeyRESHHZNIRFAZSC-NSHDSACASA-N
MW270.45 g/mol
LogP3.21
Rot. Bonds5

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

tert-butyl-dimethyl-[(2S)-2-(2-methylpyrazol-3-yl)oxypropoxy]silane (PubChem CID 170618121) has the molecular formula C13H26N2O2Si and a molecular weight of 270.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-2-(2-methylpyrazol-3-yl)oxypropoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-2-(2-methylpyrazol-3-yl)oxypropoxy]silane
PubChem CID170618121
Molecular FormulaC13H26N2O2Si
Molecular Weight270.45 g/mol
Exact Mass270.18
IUPAC Nametert-butyl-dimethyl-[(2S)-2-(2-methylpyrazol-3-yl)oxypropoxy]silane
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)Oc1ccnn1C
InChIInChI=1S/C13H26N2O2Si/c1-11(17-12-8-9-14-15(12)5)10-16-18(6,7)13(2,3)4/h8-9,11H,10H2,1-7H3/t11-/m0/s1
InChIKeyRESHHZNIRFAZSC-NSHDSACASA-N
XLogP3.21
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.45
LogP ≤ 53.21
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-[(2S)-2-(2-methylpyrazol-3-yl)oxypropoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-2-(2-methylpyrazol-3-yl)oxypropoxy]silane (CID 170618121) is tert-butyl-dimethyl-[(2S)-2-(2-methylpyrazol-3-yl)oxypropoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-2-(2-methylpyrazol-3-yl)oxypropoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-2-(2-methylpyrazol-3-yl)oxypropoxy]silane is C[C@@H](CO[Si](C)(C)C(C)(C)C)Oc1ccnn1C.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-2-(2-methylpyrazol-3-yl)oxypropoxy]silane?
The InChIKey is RESHHZNIRFAZSC-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O2Si/c1-11(17-12-8-9-14-15(12)5)10-16-18(6,7)13(2,3)4/h8-9,11H,10H2,1-7H3/t11-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-2-(2-methylpyrazol-3-yl)oxypropoxy]silane?
tert-butyl-dimethyl-[(2S)-2-(2-methylpyrazol-3-yl)oxypropoxy]silane has a molecular weight of 270.45 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-2-(2-methylpyrazol-3-yl)oxypropoxy]silane is sourced from PubChem (CID 170618121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).