4,7,10,13,16,19,22,25-octaoxaoctacos-27-ynoic acid

4,7,10,13,16,19,22,25-octaoxaoctacos-27-ynoic acid

CAS: 2055014-94-1

Formula: C20H36O10

SMILES: OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCC#C

IUPAC: 4,7,10,13,16,19,22,25-octaoxaoctacos-27-ynoic acid

InChI: InChI=1S/C20H36O10/c1-2-4-23-6-8-25-10-12-27-14-16-29-18-19-30-17-15-28-13-11-26-9-7-24-5-3-20(21)22/h1H,3-19H2,(H,21,22)

Composition: C (55.03%), H (8.31%), O (36.65%)

Molar Mass: 436.498

Atom Count: 66

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	436.230847359
Formal Charge	0
FSP3	0.85
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
InChIKey	QZQUQXNQKWZDNM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.68
Topological Polar Surface Area	111.14
Polarizability	42.72
Ring Count	0
Rotatable Bond Count	25

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