4-{[(4E)-cyclooct-4-en-1-yloxy]methyl}benzoic acid

4-{[(4E)-cyclooct-4-en-1-yloxy]methyl}benzoic acid

CAS: 1233349-54-6

Formula: C16H20O3

SMILES: OC(=O)C1=CC=C(COC2CCCC=CCC2)C=C1

IUPAC: 4-{[(4E)-cyclooct-4-en-1-yloxy]methyl}benzoic acid

InChI: InChI=1/C16H20O3/c17-16(18)14-10-8-13(9-11-14)12-19-15-6-4-2-1-3-5-7-15/h1-2,8-11,15H,3-7,12H2,(H,17,18)/b2-1+

Composition: C (73.82%), H (7.74%), O (18.44%)

Molar Mass: 260.333

Atom Count: 39

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	260.141244504
Formal Charge	0
FSP3	0.44
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XFQPLKPFTWLRIF-OWOJBTEDNA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.21
Topological Polar Surface Area	46.53
Polarizability	28.94
Ring Count	2
Rotatable Bond Count	4

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