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 Formula	C₁₉H₃₁NO₂Si
Molecular Weight	333.5 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	39.2
Heavy Atom Count	23
Formal Charge	0
Complexity	386
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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