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Chemical structure of Blattellaquinone

GC77041

Blattellaquinone

Also known as (3,6-dioxocyclohexa-1,4-dien-1-yl)methyl 3-methylbutanoate

Blattellaquinone is a sex pheromone isolated from German cockroaches

ChemicalCAS849762-24-9MW222.24FormulaC12H14O4
CAS number
849762-24-9
Molecular weight
222.24
Formula
C12H14O4
Solubility
DMSO： ≥ 100 mg/mL (449·96 mM)
InChIKey
JVMUMZYOAWLJQW-UHFFFAOYSA-N
Catalogue number
GC77041
Brand
GLPBIO
Computed properties PubChem CID 11379050 · XLogP 1 · TPSA 60.4 Ų · H-bond donors 0
XLogP
1
TPSA
60.4 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
16

SMILES CC(C)CC(=O)OCC1=CC(=O)C=CC1=O

Computed descriptors from PubChem (CID 11379050), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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