DTXSID50859323

2-(3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

CAS: 27696-12-4

Molecular Formula	`C59H90O4`
Molecular Weight	863.3 g/mol
LogP	19.4
Topological Polar Surface Area	52.6 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	31
Exact Mass	862.6839
Heavy Atoms	63
Complexity	1840.0

Chemical Identifiers

CAS Number	27696-12-4
SMILES	`CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C`
InChIKey	`ACTIUHUUMQJHFO-UHFFFAOYSA-N`

📖 Product Overview

DTXSID50859323 (CAS: 27696-12-4) is a chemical compound with molecular formula C59H90O4 and molecular weight 863.3 g/mol. Its IUPAC systematic name is 2-(3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione. LogP 19.4 Topological Polar Surface Area 52.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 31 Exact Mass 862.6839 Heavy Atoms 63 Complexity 1840.0 InChI Key: ACTIUHUUMQJHFO-UHFFFAOYSA-N. SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C.

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