Compound C21H26O3

2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione

CAS: 80809-81-0

Molecular Formula	`C21H26O3`
Molecular Weight	326.4 g/mol
LogP	3.9
Topological Polar Surface Area	54.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	326.1882
Heavy Atoms	24
Complexity	692.0

Chemical Identifiers

CAS Number	80809-81-0
SMILES	`CC1=C(C(=O)C(=C(C1=O)C)CCCCC#CCCCC#CCO)C`
InChIKey	`WDEABJKSGGRCQA-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H26O3 (CAS: 80809-81-0) is a chemical compound with molecular formula C21H26O3 and molecular weight 326.4 g/mol. Its IUPAC systematic name is 2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione. LogP 3.9 Topological Polar Surface Area 54.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 6 Exact Mass 326.1882 Heavy Atoms 24 Complexity 692.0 InChI Key: WDEABJKSGGRCQA-UHFFFAOYSA-N. SMILES: CC1=C(C(=O)C(=C(C1=O)C)CCCCC#CCCCC#CCO)C.

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