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2-methylpentyl benzoate

2-methylpentyl benzoate

CAS: 59736-57-1

Formula: C13H18O2

SMILES: CCCC(C)COC(=O)C1=CC=CC=C1

IUPAC: 2-methylpentyl benzoate

InChI: InChI=1/C13H18O2/c1-3-7-11(2)10-15-13(14)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3

Composition: C (75.69%), H (8.80%), O (15.51%)

Molar Mass: 206.285

Atom Count: 33

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 206.13067982
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey OUNXTLNEKZMJFY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.03
Topological Polar Surface Area 26.3
Polarizability 23.96
Ring Count 1
Rotatable Bond Count 6

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