1,4-bis(4-hydroxybutyl) benzene-1,4-dicarboxylate

1,4-bis(4-hydroxybutyl) benzene-1,4-dicarboxylate

CAS: 23358-95-4

Formula: C16H22O6

SMILES: OCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCCO

IUPAC: 1,4-bis(4-hydroxybutyl) benzene-1,4-dicarboxylate

InChI: InChI=1S/C16H22O6/c17-9-1-3-11-21-15(19)13-5-7-14(8-6-13)16(20)22-12-4-2-10-18/h5-8,17-18H,1-4,9-12H2

Composition: C (61.92%), H (7.15%), O (30.93%)

Molar Mass: 310.346

Atom Count: 44

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	310.141638428
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	MRLFFZIIRRKXBJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.71
Topological Polar Surface Area	93.06
Polarizability	31.51
Ring Count	1
Rotatable Bond Count	12

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