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2-ethylhexyl hexanoate

2-ethylhexyl hexanoate

CAS: 16397-75-4

Formula: C14H28O2

SMILES: CCCCCC(=O)OCC(CC)CCCC

IUPAC: 2-ethylhexyl hexanoate

InChI: InChI=1/C14H28O2/c1-4-7-9-11-14(15)16-12-13(6-3)10-8-5-2/h13H,4-12H2,1-3H3

Composition: C (73.63%), H (12.36%), O (14.01%)

Molar Mass: 228.376

Atom Count: 44

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 228.208930142
Formal Charge 0
FSP3 0.93
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey QRNFTMKPBPCPJO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.99
Topological Polar Surface Area 26.3
Polarizability 27.28
Ring Count 0
Rotatable Bond Count 11

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