ethyl (2E)-2-cyano-3-(4-{2-[4-(hexyloxy)phenoxy]ethoxy}-3-methoxyphenyl)prop-2-enoate

ethyl (2E)-2-cyano-3-(4-{2-[4-(hexyloxy)phenoxy]ethoxy}-3-methoxyphenyl)prop-2-enoate

Formula: C27H33NO6

SMILES: CCCCCCOC1=CC=C(OCCOC2=CC=C(C=C(/C#N)C(=O)OCC)C=C2OC)C=C1

IUPAC: ethyl (2E)-2-cyano-3-(4-{2-[4-(hexyloxy)phenoxy]ethoxy}-3-methoxyphenyl)prop-2-enoate

InChI: InChI=1S/C27H33NO6/c1-4-6-7-8-15-32-23-10-12-24(13-11-23)33-16-17-34-25-14-9-21(19-26(25)30-3)18-22(20-28)27(29)31-5-2/h9-14,18-19H,4-8,15-17H2,1-3H3/b22-18+

Composition: C (69.36%), H (7.11%), N (3.00%), O (20.53%)

Molar Mass: 467.562

Atom Count: 67

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	467.230787787
Formal Charge	0
FSP3	0.41
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	CJELKVNYVHUYCM-RELWKKBWSA-N
Lipinski's Rule of Five
Molar Refractivity	130.65
Topological Polar Surface Area	87.01
Polarizability	50.61
Ring Count	2
Rotatable Bond Count	16

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H33NO6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00