1,13-dibenzyl tridecanedioate

1,13-dibenzyl tridecanedioate

Formula: C27H36O4

SMILES: O=C(CCCCCCCCCCCC(=O)OCC1=CC=CC=C1)OCC1=CC=CC=C1

IUPAC: 1,13-dibenzyl tridecanedioate

InChI: InChI=1S/C27H36O4/c28-26(30-22-24-16-10-8-11-17-24)20-14-6-4-2-1-3-5-7-15-21-27(29)31-23-25-18-12-9-13-19-25/h8-13,16-19H,1-7,14-15,20-23H2

Composition: C (76.38%), H (8.55%), O (15.07%)

Molar Mass: 424.581

Atom Count: 67

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	424.261359639
Formal Charge	0
FSP3	0.48
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	BHLFKFUUCHJGGC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	123.71
Topological Polar Surface Area	52.6
Polarizability	49.08
Ring Count	2
Rotatable Bond Count	18

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C27H36O4		Quote Only