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ethyl 5-(4-tert-butylphenyl)-5-oxopentanoate

ethyl 5-(4-tert-butylphenyl)-5-oxopentanoate

CAS: 101577-33-7

Formula: C17H24O3

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

IUPAC: ethyl 5-(4-tert-butylphenyl)-5-oxopentanoate

InChI: InChI=1S/C17H24O3/c1-5-20-16(19)8-6-7-15(18)13-9-11-14(12-10-13)17(2,3)4/h9-12H,5-8H2,1-4H3

Composition: C (73.88%), H (8.75%), O (17.37%)

Molar Mass: 276.376

Atom Count: 44

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 276.172544633
Formal Charge 0
FSP3 0.53
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey OSFBPASCHJVYJC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.14
Topological Polar Surface Area 43.37
Polarizability 31.32
Ring Count 1
Rotatable Bond Count 8

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