methyl 7-[3-hydroxy-2-(4-hydroxy-4-methyloct-1-en-1-yl)-5-oxocyclopentyl]heptanoate

methyl 7-[3-hydroxy-2-(4-hydroxy-4-methyloct-1-en-1-yl)-5-oxocyclopentyl]heptanoate

CAS: 59122-46-2

Formula: C22H38O5

SMILES: CCCCC(C)(O)CC=CC1C(O)CC(=O)C1CCCCCCC(=O)OC

IUPAC: methyl 7-[3-hydroxy-2-(4-hydroxy-4-methyloct-1-en-1-yl)-5-oxocyclopentyl]heptanoate

InChI: InChI=1/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3

Composition: C (69.08%), H (10.01%), O (20.91%)

Molar Mass: 382.541

Atom Count: 65

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	4
Exact Mass	382.271924324
Formal Charge	0
FSP3	0.82
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	OJLOPKGSLYJEMD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.88
Topological Polar Surface Area	83.83
Polarizability	42.36
Ring Count	1
Rotatable Bond Count	14

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