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15689-68-6

15689-68-6 | Heptacosane, 11-methyl-

CAS No: 15689-68-6 Catalog No: AG001P29 MDL No:

Product Description

Catalog Number:
AG001P29
Chemical Name:
Heptacosane, 11-methyl-
CAS Number:
15689-68-6
Molecular Formula:
C28H58
Molecular Weight:
394.7601
IUPAC Name:
11-methylheptacosane
InChI:
InChI=1S/C28H58/c1-4-6-8-10-12-14-15-16-17-18-19-21-23-25-27-28(3)26-24-22-20-13-11-9-7-5-2/h28H,4-27H2,1-3H3
InChI Key:
NBBBXASYEKYDOB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(CCCCCCCCCC)C

Properties

Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.454g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.772g/mol
Monoisotopic Mass:
394.454g/mol
Rotatable Bond Count:
24  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
15.1  

Literature

Title Journal
Contact sex pheromones identified for two species of longhorned beetles (Coleoptera: Cerambycidae) Tetropium fuscum and T. cinnamopterum in the subfamily Spondylidinae. Environmental entomology 20110601

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