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86847-26-9 | 2-Cyclohexen-1-one, 2-methyl-5-(1-methylene-4-pentenyl)-, (R)-
CAS No: 86847-26-9 Catalog No: AG004QWL MDL No:
Product Description
Catalog Number:
AG004QWL
Chemical Name:
2-Cyclohexen-1-one, 2-methyl-5-(1-methylene-4-pentenyl)-, (R)-
CAS Number:
86847-26-9
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
(5R)-5-hexa-1,5-dien-2-yl-2-methylcyclohex-2-en-1-one
InChI:
InChI=1S/C13H18O/c1-4-5-6-10(2)12-8-7-11(3)13(14)9-12/h4,7,12H,1-2,5-6,8-9H2,3H3/t12-/m1/s1
InChI Key:
QOMYGVYTGKHTRO-GFCCVEGCSA-N
SMILES:
C=CCCC(=C)[C@@H]1CC=C(C(=O)C1)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
190.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.286g/mol
Monoisotopic Mass:
190.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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