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88354-55-6 | 4,6-Heptadien-3-one, 2,2,6-trimethyl-1-(3-methyl-2H-oxet-2-yl)-, (E)-
CAS No: 88354-55-6 Catalog No: AG0045S4 MDL No:
Product Description
Catalog Number:
AG0045S4
Chemical Name:
4,6-Heptadien-3-one, 2,2,6-trimethyl-1-(3-methyl-2H-oxet-2-yl)-, (E)-
CAS Number:
88354-55-6
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
2,2,6-trimethyl-1-(3-methyl-2H-oxet-2-yl)hepta-4,6-dien-3-one
InChI:
InChI=1S/C14H20O2/c1-10(2)6-7-13(15)14(4,5)8-12-11(3)9-16-12/h6-7,9,12H,1,8H2,2-5H3
InChI Key:
GHSVTLQPKDKZDT-UHFFFAOYSA-N
SMILES:
CC(=C)/C=C/C(=O)C(CC1OC=C1C)(C)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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