ISDA: 27QY

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1MHM

IUPAC Name: 2,5-di-tert-amylhydroquinone

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccccc1

InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

InChI Key: UHOVQNZJYSORNB-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C16 H26 O2

Molecular weight: 250.376

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 2

Rotatable Bonds: 12

Heavy Atoms: 18

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C16H26O2/c1-7-15(3,4)11-9-14(18)12(10-13(11)17)16(5,6)8-2/h9-10,17-18H,7-8H2,1-6H3
InChIKey	InChI	1.06	CZNRFEXEPBITDS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCC(C)(C)c1cc(O)c(cc1O)C(C)(C)CC
SMILES	CACTVS	3.385	CCC(C)(C)c1cc(O)c(cc1O)C(C)(C)CC
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCC(C)(C)c1cc(c(cc1O)C(C)(C)CC)O
SMILES	OpenEye OEToolkits	2.0.7	CCC(C)(C)c1cc(c(cc1O)C(C)(C)CC)O