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85808-04-4 | 2-Cyclohexen-1-one, 4-(2-propenyl)-5-[2-(trimethylsilyl)ethyl]-, trans-
CAS No: 85808-04-4 Catalog No: AG004RK9 MDL No:
Product Description
Catalog Number:
AG004RK9
Chemical Name:
2-Cyclohexen-1-one, 4-(2-propenyl)-5-[2-(trimethylsilyl)ethyl]-, trans-
CAS Number:
85808-04-4
Molecular Formula:
C14H24OSi
Molecular Weight:
236.4253
IUPAC Name:
(4S,5S)-4-prop-2-enyl-5-(2-trimethylsilylethyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C14H24OSi/c1-5-6-12-7-8-14(15)11-13(12)9-10-16(2,3)4/h5,7-8,12-13H,1,6,9-11H2,2-4H3/t12-,13-/m1/s1
InChI Key:
YDTZANZKGPAOQX-CHWSQXEVSA-N
SMILES:
C=CC[C@@H]1C=CC(=O)C[C@H]1CC[Si](C)(C)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
236.16g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.43g/mol
Monoisotopic Mass:
236.16g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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