16-methoxy-16-oxohexadecanoic acid

16-methoxy-16-oxohexadecanoic acid

CAS: 18451-85-9

Formula: C17H32O4

SMILES: COC(=O)CCCCCCCCCCCCCCC(O)=O

IUPAC: 16-methoxy-16-oxohexadecanoic acid

InChI: InChI=1S/C17H32O4/c1-21-17(20)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(18)19/h2-15H2,1H3,(H,18,19)

Composition: C (67.96%), H (10.74%), O (21.30%)

Molar Mass: 300.439

Atom Count: 53

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	300.23005951
Formal Charge	0
FSP3	0.88
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PPYYVFBDKRFTDQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	83.52
Topological Polar Surface Area	63.6
Polarizability	33.32
Ring Count	0
Rotatable Bond Count	16

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