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propyl 2-methylbutanoate

propyl 2-methylbutanoate

CAS: 37064-20-3

Formula: C8H16O2

SMILES: CCCOC(=O)C(C)CC

IUPAC: propyl 2-methylbutanoate

InChI: InChI=1/C8H16O2/c1-4-6-10-8(9)7(3)5-2/h7H,4-6H2,1-3H3

Composition: C (66.63%), H (11.18%), O (22.19%)

Molar Mass: 144.214

Atom Count: 26

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 144.115029755
Formal Charge 0
FSP3 0.87
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey TZFQMSDUSOTCJC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.49
Topological Polar Surface Area 26.3
Polarizability 16.23
Ring Count 0
Rotatable Bond Count 5

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