(3S,4S)-3-hexyl-4-[(2R)-2-hydroxytridecyl]oxetan-2-one

(3S,4S)-3-hexyl-4-[(2R)-2-hydroxytridecyl]oxetan-2-one

CAS: 104872-06-2

Formula: C22H42O3

SMILES: CCCCCCCCCCC[C@@H](O)C[C@@H]1OC(=O)[C@H]1CCCCCC

IUPAC: (3S,4S)-3-hexyl-4-[(2R)-2-hydroxytridecyl]oxetan-2-one

InChI: InChI=1S/C22H42O3/c1-3-5-7-9-10-11-12-13-14-16-19(23)18-21-20(22(24)25-21)17-15-8-6-4-2/h19-21,23H,3-18H2,1-2H3/t19-,20+,21+/m1/s1

Composition: C (74.52%), H (11.94%), O (13.54%)

Molar Mass: 354.575

Atom Count: 67

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	3
Exact Mass	354.313395212
Formal Charge	0
FSP3	0.95
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RSOUWOFYULUWNE-HKBOAZHASA-N
Lipinski's Rule of Five
Molar Refractivity	104.31
Topological Polar Surface Area	46.53
Polarizability	41.91
Ring Count	1
Rotatable Bond Count	17

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