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2-ethylhexyl propanoate

2-ethylhexyl propanoate

CAS: 6293-37-4

Formula: C11H22O2

SMILES: CCCCC(CC)COC(=O)CC

IUPAC: 2-ethylhexyl propanoate

InChI: InChI=1/C11H22O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h10H,4-9H2,1-3H3

Composition: C (70.92%), H (11.90%), O (17.18%)

Molar Mass: 186.295

Atom Count: 35

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 186.161979948
Formal Charge 0
FSP3 0.91
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey GUHQWKGQAYBNEW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.19
Topological Polar Surface Area 26.3
Polarizability 21.75
Ring Count 0
Rotatable Bond Count 8

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