9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde

C20H33NO2Si — CID 175403309

IUPAC9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde
SMILESCC(C)[Si](OC1CCCC(C=O)c2cccnc21)(C(C)C)C(C)C
InChIInChI=1S/C20H33NO2Si/c1-14(2)24(15(3)4,16(5)6)23-19-11-7-9-17(13-22)18-10-8-12-21-20(18)19/h8,10,12-17,19H,7,9,11H2,1-6H3
InChIKeyLDRKBBIMCWWPKT-UHFFFAOYSA-N
MW347.58 g/mol
LogP5.78
Rot. Bonds6

About 9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde

9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde (PubChem CID 175403309) has the molecular formula C20H33NO2Si and a molecular weight of 347.58 g/mol. Its IUPAC name is 9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde
PubChem CID175403309
Molecular FormulaC20H33NO2Si
Molecular Weight347.58 g/mol
Exact Mass347.23
IUPAC Name9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde
SMILESCC(C)[Si](OC1CCCC(C=O)c2cccnc21)(C(C)C)C(C)C
InChIInChI=1S/C20H33NO2Si/c1-14(2)24(15(3)4,16(5)6)23-19-11-7-9-17(13-22)18-10-8-12-21-20(18)19/h8,10,12-17,19H,7,9,11H2,1-6H3
InChIKeyLDRKBBIMCWWPKT-UHFFFAOYSA-N
XLogP5.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.58
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde with MolForge

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Related Compounds

(9S)-9-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one
CID 67438705
(6R,9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol
CID 139095082
(5R,6R,9R)-6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine
CID 90122589
(5S,6S,9R)-6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine
CID 67115863
5,6,7,8-tetrahydroquinoline-5-carbaldehyde
CID 174393645
phenylboronic acid;(6-phenyl-8,9-dihydro-7H-cyclohepta[b]pyridin-9-yl)oxy-tri(propan-2-yl)silane
CID 159219398
2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde
CID 79739966
N-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
CID 79737614
7-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 146551698
3-piperidin-3-ylpyridine-2-carbaldehyde
CID 175124211
3-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde
CID 174681214
N-methyl-N-[5-tri(propan-2-yl)silyloxypent-1-ynyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176590

Frequently Asked Questions

What is the IUPAC name of 9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde?
The IUPAC name of 9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde (CID 175403309) is 9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde.
What is the SMILES notation for 9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde?
The canonical SMILES for 9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde is CC(C)[Si](OC1CCCC(C=O)c2cccnc21)(C(C)C)C(C)C.
What is the InChIKey of 9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde?
The InChIKey is LDRKBBIMCWWPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2Si/c1-14(2)24(15(3)4,16(5)6)23-19-11-7-9-17(13-22)18-10-8-12-21-20(18)19/h8,10,12-17,19H,7,9,11H2,1-6H3.
What are the key properties of 9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde?
9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde has a molecular weight of 347.58 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde is sourced from PubChem (CID 175403309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).