5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde

C19H28N2O3Si — CID 90460795

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(C=O)nn2C1CCCCO1
InChIInChI=1S/C19H28N2O3Si/c1-19(2,3)25(4,5)24-14-9-10-17-15(12-14)16(13-22)20-21(17)18-8-6-7-11-23-18/h9-10,12-13,18H,6-8,11H2,1-5H3
InChIKeyULDIZTXWWCCVST-UHFFFAOYSA-N
MW360.53 g/mol
LogP4.93
Rot. Bonds4

About 5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde

5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde (PubChem CID 90460795) has the molecular formula C19H28N2O3Si and a molecular weight of 360.53 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde
PubChem CID90460795
Molecular FormulaC19H28N2O3Si
Molecular Weight360.53 g/mol
Exact Mass360.19
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(C=O)nn2C1CCCCO1
InChIInChI=1S/C19H28N2O3Si/c1-19(2,3)25(4,5)24-14-9-10-17-15(12-14)16(13-22)20-21(17)18-8-6-7-11-23-18/h9-10,12-13,18H,6-8,11H2,1-5H3
InChIKeyULDIZTXWWCCVST-UHFFFAOYSA-N
XLogP4.93
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde (CID 90460795) is 5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde is CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(C=O)nn2C1CCCCO1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde?
The InChIKey is ULDIZTXWWCCVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3Si/c1-19(2,3)25(4,5)24-14-9-10-17-15(12-14)16(13-22)20-21(17)18-8-6-7-11-23-18/h9-10,12-13,18H,6-8,11H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde?
5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde has a molecular weight of 360.53 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde is sourced from PubChem (CID 90460795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).