[1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methanol

C14H26N2O2Si — CID 170550593

IUPAC[1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methanol
SMILESC[Si](C)(C)CCOCn1ncc2c1CCCC2CO
InChIInChI=1S/C14H26N2O2Si/c1-19(2,3)8-7-18-11-16-14-6-4-5-12(10-17)13(14)9-15-16/h9,12,17H,4-8,10-11H2,1-3H3
InChIKeyGOIBTSXCPGSTRX-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.61
Rot. Bonds6

About [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methanol

[1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methanol (PubChem CID 170550593) has the molecular formula C14H26N2O2Si and a molecular weight of 282.46 g/mol. Its IUPAC name is [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methanol
PubChem CID170550593
Molecular FormulaC14H26N2O2Si
Molecular Weight282.46 g/mol
Exact Mass282.18
IUPAC Name[1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methanol
SMILESC[Si](C)(C)CCOCn1ncc2c1CCCC2CO
InChIInChI=1S/C14H26N2O2Si/c1-19(2,3)8-7-18-11-16-14-6-4-5-12(10-17)13(14)9-15-16/h9,12,17H,4-8,10-11H2,1-3H3
InChIKeyGOIBTSXCPGSTRX-UHFFFAOYSA-N
XLogP2.61
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methanol?
The IUPAC name of [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methanol (CID 170550593) is [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methanol.
What is the SMILES notation for [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methanol?
The canonical SMILES for [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methanol is C[Si](C)(C)CCOCn1ncc2c1CCCC2CO.
What is the InChIKey of [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methanol?
The InChIKey is GOIBTSXCPGSTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2Si/c1-19(2,3)8-7-18-11-16-14-6-4-5-12(10-17)13(14)9-15-16/h9,12,17H,4-8,10-11H2,1-3H3.
What are the key properties of [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methanol?
[1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methanol has a molecular weight of 282.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methanol is sourced from PubChem (CID 170550593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).