methyl 12-oxooctadecanoate

methyl 12-oxooctadecanoate

CAS: 2380-27-0

Formula: C19H36O3

SMILES: CCCCCCC(=O)CCCCCCCCCCC(=O)OC

IUPAC: methyl 12-oxooctadecanoate

InChI: InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h3-17H2,1-2H3

Composition: C (73.03%), H (11.61%), O (15.36%)

Molar Mass: 312.494

Atom Count: 58

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	312.266445019
Formal Charge	0
FSP3	0.89
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XVSPEBNRFAFNAV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	91.7
Topological Polar Surface Area	43.37
Polarizability	36.56
Ring Count	0
Rotatable Bond Count	17

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