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

C19H33NO2Si — CID 139095082

IUPAC(6R,9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol
SMILESCC(C)[Si](O[C@@H]1CC[C@@H](O)Cc2cccnc21)(C(C)C)C(C)C
InChIInChI=1S/C19H33NO2Si/c1-13(2)23(14(3)4,15(5)6)22-18-10-9-17(21)12-16-8-7-11-20-19(16)18/h7-8,11,13-15,17-18,21H,9-10,12H2,1-6H3/t17-,18-/m1/s1
InChIKeyQSUZKAXBTQYRFS-QZTJIDSGSA-N
MW335.56 g/mol
LogP5.01
Rot. Bonds5

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

(6R,9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol (PubChem CID 139095082) has the molecular formula C19H33NO2Si and a molecular weight of 335.56 g/mol. Its IUPAC name is (6R,9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol.

Molecular Properties

Compound Name(6R,9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol
PubChem CID139095082
Molecular FormulaC19H33NO2Si
Molecular Weight335.56 g/mol
Exact Mass335.23
IUPAC Name(6R,9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol
SMILESCC(C)[Si](O[C@@H]1CC[C@@H](O)Cc2cccnc21)(C(C)C)C(C)C
InChIInChI=1S/C19H33NO2Si/c1-13(2)23(14(3)4,15(5)6)22-18-10-9-17(21)12-16-8-7-11-20-19(16)18/h7-8,11,13-15,17-18,21H,9-10,12H2,1-6H3/t17-,18-/m1/s1
InChIKeyQSUZKAXBTQYRFS-QZTJIDSGSA-N
XLogP5.01
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.56
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6R,9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol 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
phenylboronic acid;(6-phenyl-8,9-dihydro-7H-cyclohepta[b]pyridin-9-yl)oxy-tri(propan-2-yl)silane
CID 159219398
9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde
CID 175403309
7-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 146551698
(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
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532
8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one
CID 160543917
2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-1-one
CID 115783784
ethyl 8-hydroxy-5,6,7,8-tetrahydroquinoline-6-carboxylate
CID 86614352
(7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 89333129

Frequently Asked Questions

What is the IUPAC name of (6R,9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol?
The IUPAC name of (6R,9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol (CID 139095082) is (6R,9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol.
What is the SMILES notation for (6R,9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol?
The canonical SMILES for (6R,9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol is CC(C)[Si](O[C@@H]1CC[C@@H](O)Cc2cccnc21)(C(C)C)C(C)C.
What is the InChIKey of (6R,9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol?
The InChIKey is QSUZKAXBTQYRFS-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H33NO2Si/c1-13(2)23(14(3)4,15(5)6)22-18-10-9-17(21)12-16-8-7-11-20-19(16)18/h7-8,11,13-15,17-18,21H,9-10,12H2,1-6H3/t17-,18-/m1/s1.
What are the key properties of (6R,9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol?
(6R,9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol has a molecular weight of 335.56 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol is sourced from PubChem (CID 139095082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).