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6-({6-[(2-hexyldecanoyl)oxy]hexyl}(4-hydroxybutyl)amino)hexyl 2-hexyldecanoate

6-({6-[(2-hexyldecanoyl)oxy]hexyl}(4-hydroxybutyl)amino)hexyl 2-hexyldecanoate

CAS: 2036272-55-4

Formula: C48H95NO5

SMILES: CCCCCCCCC(CCCCCC)C(=O)OCCCCCCN(CCCCO)CCCCCCOC(=O)C(CCCCCC)CCCCCCCC

IUPAC: 6-({6-[(2-hexyldecanoyl)oxy]hexyl}(4-hydroxybutyl)amino)hexyl 2-hexyldecanoate

InChI: InChI=1/C48H95NO5/c1-5-9-13-17-19-27-37-45(35-25-15-11-7-3)47(51)53-43-33-23-21-29-39-49(41-31-32-42-50)40-30-22-24-34-44-54-48(52)46(36-26-16-12-8-4)38-28-20-18-14-10-6-2/h45-46,50H,5-44H2,1-4H3

Composition: C (75.24%), H (12.50%), N (1.83%), O (10.44%)

Molar Mass: 766.29

Atom Count: 149

Heavy Atom Count: 54

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 765.721025163
Formal Charge 0
FSP3 0.96
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey QGWBEETXHOVFQS-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 232.93
Topological Polar Surface Area 76.07
Polarizability 92.85
Ring Count 0
Rotatable Bond Count 46

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