V8Z

(1E,4E,8E)-2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene

Created:	2021-04-30
Last modified:	2021-07-07

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1 entries where V8Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	0

2D diagram of V8Z

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Chemical Component Summary
Name	(1E,4E,8E)-2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene
Synonyms	(1E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene; 134687947; alpha-Caryophyllene; 3,7,10-Humulatriene
Systematic Name (OpenEye OEToolkits)	(1~{E},8~{E})-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
Formula	C₁₅ H₂₄
Molecular Weight	204.351
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC1=CCC(C)(C)C=CCC(=CCC1)C
SMILES	OpenEye OEToolkits	2.0.7	CC1=CCC(C=CCC(=CCC1)C)(C)C
Canonical SMILES	CACTVS	3.385	CC\1=C/CC(C)(C)\C=C\C\C(=C\CC\1)C
Canonical SMILES	OpenEye OEToolkits	2.0.7	C/C/1=C\CC(C=CC/C(=C/CC1)/C)(C)C
InChI	InChI	1.03	InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+
InChIKey	InChI	1.03	FAMPSKZZVDUYOS-HRGUGZIWSA-N

Related Resource References

Resource Name	Reference
PubChem	5281520
ChEMBL	CHEMBL251280
ChEBI	CHEBI:5768

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.