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143701-22-8 | 2-Cyclohexen-1-one, 2-methyl-5-(1-methylenehexyl)-
CAS No: 143701-22-8 Catalog No: AG001I80 MDL No:
Product Description
Catalog Number:
AG001I80
Chemical Name:
2-Cyclohexen-1-one, 2-methyl-5-(1-methylenehexyl)-
CAS Number:
143701-22-8
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
IUPAC Name:
5-hept-1-en-2-yl-2-methylcyclohex-2-en-1-one
InChI:
InChI=1S/C14H22O/c1-4-5-6-7-11(2)13-9-8-12(3)14(15)10-13/h8,13H,2,4-7,9-10H2,1,3H3
InChI Key:
ISBTYSYOKSOGAL-UHFFFAOYSA-N
SMILES:
CCCCCC(=C)C1CC=C(C(=O)C1)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.167g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.329g/mol
Monoisotopic Mass:
206.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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