6-[[(1S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde

C26H36BNO5Si — CID 140933724

IUPAC6-[[(1S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde
SMILESCC1(C)OB(c2cccc3c2CC[C@@H]3Oc2ccc(C=O)c(OCC[Si](C)(C)C)n2)OC1(C)C
InChIInChI=1S/C26H36BNO5Si/c1-25(2)26(3,4)33-27(32-25)21-10-8-9-20-19(21)12-13-22(20)31-23-14-11-18(17-29)24(28-23)30-15-16-34(5,6)7/h8-11,14,17,22H,12-13,15-16H2,1-7H3/t22-/m0/s1
InChIKeyJHCZQHVLPMQNJS-QFIPXVFZSA-N
MW481.47 g/mol
LogP4.98
Rot. Bonds8

About 6-[[(1S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde

6-[[(1S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde (PubChem CID 140933724) has the molecular formula C26H36BNO5Si and a molecular weight of 481.47 g/mol. Its IUPAC name is 6-[[(1S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[[(1S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde
PubChem CID140933724
Molecular FormulaC26H36BNO5Si
Molecular Weight481.47 g/mol
Exact Mass481.25
IUPAC Name6-[[(1S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde
SMILESCC1(C)OB(c2cccc3c2CC[C@@H]3Oc2ccc(C=O)c(OCC[Si](C)(C)C)n2)OC1(C)C
InChIInChI=1S/C26H36BNO5Si/c1-25(2)26(3,4)33-27(32-25)21-10-8-9-20-19(21)12-13-22(20)31-23-14-11-18(17-29)24(28-23)30-15-16-34(5,6)7/h8-11,14,17,22H,12-13,15-16H2,1-7H3/t22-/m0/s1
InChIKeyJHCZQHVLPMQNJS-QFIPXVFZSA-N
XLogP4.98
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.47
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[[(1S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-[[(1S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde (CID 140933724) is 6-[[(1S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[[(1S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-[[(1S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde is CC1(C)OB(c2cccc3c2CC[C@@H]3Oc2ccc(C=O)c(OCC[Si](C)(C)C)n2)OC1(C)C.
What is the InChIKey of 6-[[(1S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde?
The InChIKey is JHCZQHVLPMQNJS-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H36BNO5Si/c1-25(2)26(3,4)33-27(32-25)21-10-8-9-20-19(21)12-13-22(20)31-23-14-11-18(17-29)24(28-23)30-15-16-34(5,6)7/h8-11,14,17,22H,12-13,15-16H2,1-7H3/t22-/m0/s1.
What are the key properties of 6-[[(1S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde?
6-[[(1S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde has a molecular weight of 481.47 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 140933724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).