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125643-05-2 | 5-Decen-2-one, 4,4,6-trimethyl-, (E)- (9CI)
CAS No: 125643-05-2 Catalog No: AG000O8L MDL No:
Product Description
Catalog Number:
AG000O8L
Chemical Name:
5-Decen-2-one, 4,4,6-trimethyl-, (E)- (9CI)
CAS Number:
125643-05-2
Molecular Formula:
C13H24O
Molecular Weight:
196.3291
IUPAC Name:
4,4,6-trimethyldec-5-en-2-one
InChI:
InChI=1S/C13H24O/c1-6-7-8-11(2)9-13(4,5)10-12(3)14/h9H,6-8,10H2,1-5H3
InChI Key:
RGAUZYYMKRWBQE-UHFFFAOYSA-N
SMILES:
CCCC/C(=C/C(CC(=O)C)(C)C)/C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.183g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.334g/mol
Monoisotopic Mass:
196.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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