methyl 2-ethylhexanoate

methyl 2-ethylhexanoate

CAS: 816-19-3

Formula: C9H18O2

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

IUPAC: methyl 2-ethylhexanoate

InChI: InChI=1/C9H18O2/c1-4-6-7-8(5-2)9(10)11-3/h8H,4-7H2,1-3H3

Composition: C (68.31%), H (11.47%), O (20.22%)

Molar Mass: 158.241

Atom Count: 29

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	158.13067982
Formal Charge	0
FSP3	0.89
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	KICUISADAVMYCJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.02
Topological Polar Surface Area	26.3
Polarizability	18.07
Ring Count	0
Rotatable Bond Count	6

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