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919991-40-5

919991-40-5 | 3,5-Octadien-2-one, 5-(1,1-dimethylethyl)-7-methyl-, (3E,5E)-

CAS No: 919991-40-5 Catalog No: AG006GBU MDL No:

Product Description

Catalog Number:
AG006GBU
Chemical Name:
3,5-Octadien-2-one, 5-(1,1-dimethylethyl)-7-methyl-, (3E,5E)-
CAS Number:
919991-40-5
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
5-tert-butyl-7-methylocta-3,5-dien-2-one
InChI:
InChI=1S/C13H22O/c1-10(2)9-12(13(4,5)6)8-7-11(3)14/h7-10H,1-6H3
InChI Key:
HDNWSUCCDQAUOH-UHFFFAOYSA-N
SMILES:
CC(/C=C(/C(C)(C)C)\C=C\C(=O)C)C

Properties

Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  
XLogP3:
4.1  

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