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Also known as: 1190363-45-1, 5h-cyclohepta[b]pyridin-5-one, 6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-, (9r)-, Schembl828795, Lztsmpyeskabas-gosisdbhsa-n, (r)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5h-cyclohepta[b]pyridin-5-one, (9r)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one
Molecular Formula
C19H31NO2Si
Molecular Weight
333.5  g/mol
InChI Key
LZTSMPYESKABAS-GOSISDBHSA-N

CAS 1190363-45-1
1 2D Structure

CAS 1190363-45-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one
2.1.2 InChI
InChI=1S/C19H31NO2Si/c1-13(2)23(14(3)4,15(5)6)22-18-11-7-10-17(21)16-9-8-12-20-19(16)18/h8-9,12-15,18H,7,10-11H2,1-6H3/t18-/m1/s1
2.1.3 InChI Key
LZTSMPYESKABAS-GOSISDBHSA-N
2.1.4 Canonical SMILES
CC(C)[Si](C(C)C)(C(C)C)OC1CCCC(=O)C2=C1N=CC=C2
2.1.5 Isomeric SMILES
CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1CCCC(=O)C2=C1N=CC=C2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1190363-45-1

2. 5h-cyclohepta[b]pyridin-5-one, 6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-, (9r)-

3. Schembl828795

4. Lztsmpyeskabas-gosisdbhsa-n

5. (r)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5h-cyclohepta[b]pyridin-5-one

6. (9r)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one

2.3 Create Date
2012-08-19
3 Chemical and Physical Properties
Molecular Weight 333.5 g/mol
Molecular Formula C19H31NO2Si
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area39.2
Heavy Atom Count23
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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