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2-Methylhexacosane

CAT: 0013-GTR19190419-03Size: 5 mgDry Ice: NoHazardous: No
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Description
2-Methylhexacosane is a saturated hydrocarbon insect pheromone identified in species such as M. dasystomus and D. melanogaster, where it influences male mating and aggression behaviors. It is also a component of V. vulgaris trail pheromones, making it relevant for research in chemical ecology and insect behavior studies.
CAS Number
1561-02-0
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCC (C) C
Molecular Formula
C27H56
Molecular Weight
380.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Methylhexacosane

2-methylhexacosane is a long-chain alkane that is hexacosane substituted by a methyl group at position 2. It has a role as a pheromone, an animal metabolite and a plant metabolite.

CAS Number1561-02-0
PubChem CID150931
IUPAC Name2-methylhexacosane
Molecular FormulaC27H56
Molecular Weight380.7
XLogP14.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count23
Heavy Atom Count27
Formal Charge0
Complexity242
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C27H56/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)3/h27H,4-26H2,1-3H3
InChIKey
BEBPORIYFVRVCP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylhexacosane
CAS: 1561-02-0
CID: 150931
Formula: C27H56
MW: 380.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.7
XLogP314.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count23
Exact Mass380.438201786
Monoisotopic Mass380.438201786
Topological Polar Surface Area0 Ų
Heavy Atom Count27
Formal Charge0
Complexity242
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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