4,5-bis(octyloxy)benzene-1,2-dicarbonitrile

4,5-bis(octyloxy)benzene-1,2-dicarbonitrile

CAS: 118132-11-9

Formula: C24H36N2O2

SMILES: CCCCCCCCOC1=CC(C#N)=C(C=C1OCCCCCCCC)C#N

IUPAC: 4,5-bis(octyloxy)benzene-1,2-dicarbonitrile

InChI: InChI=1S/C24H36N2O2/c1-3-5-7-9-11-13-15-27-23-17-21(19-25)22(20-26)18-24(23)28-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3

Composition: C (74.96%), H (9.44%), N (7.28%), O (8.32%)

Molar Mass: 384.564

Atom Count: 64

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	384.277678407
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	SSVVHLRGCJLWCP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	114.98
Topological Polar Surface Area	66.04
Polarizability	44.82
Ring Count	1
Rotatable Bond Count	16

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