1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,5,6,7-tetrahydroindazol-4-ol

C15H28N2O2Si — CID 59747913

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,5,6,7-tetrahydroindazol-4-ol
SMILESCC(C)(C)[Si](C)(C)OCCn1ncc2c1CCCC2O
InChIInChI=1S/C15H28N2O2Si/c1-15(2,3)20(4,5)19-10-9-17-13-7-6-8-14(18)12(13)11-16-17/h11,14,18H,6-10H2,1-5H3
InChIKeyMJPOZKUJQAZNDL-UHFFFAOYSA-N
MW296.49 g/mol
LogP3.27
Rot. Bonds4

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,5,6,7-tetrahydroindazol-4-ol

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,5,6,7-tetrahydroindazol-4-ol (PubChem CID 59747913) has the molecular formula C15H28N2O2Si and a molecular weight of 296.49 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,5,6,7-tetrahydroindazol-4-ol
PubChem CID59747913
Molecular FormulaC15H28N2O2Si
Molecular Weight296.49 g/mol
Exact Mass296.19
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,5,6,7-tetrahydroindazol-4-ol
SMILESCC(C)(C)[Si](C)(C)OCCn1ncc2c1CCCC2O
InChIInChI=1S/C15H28N2O2Si/c1-15(2,3)20(4,5)19-10-9-17-13-7-6-8-14(18)12(13)11-16-17/h11,14,18H,6-10H2,1-5H3
InChIKeyMJPOZKUJQAZNDL-UHFFFAOYSA-N
XLogP3.27
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
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 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,5,6,7-tetrahydroindazol-4-ol (CID 59747913) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,5,6,7-tetrahydroindazol-4-ol is CC(C)(C)[Si](C)(C)OCCn1ncc2c1CCCC2O.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is MJPOZKUJQAZNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2Si/c1-15(2,3)20(4,5)19-10-9-17-13-7-6-8-14(18)12(13)11-16-17/h11,14,18H,6-10H2,1-5H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,5,6,7-tetrahydroindazol-4-ol?
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 296.49 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 59747913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).