ethyl 7-oxooctanoate

ethyl 7-oxooctanoate

CAS: 36651-36-2

Formula: C10H18O3

SMILES: CCOC(=O)CCCCCC(C)=O

IUPAC: ethyl 7-oxooctanoate

InChI: InChI=1S/C10H18O3/c1-3-13-10(12)8-6-4-5-7-9(2)11/h3-8H2,1-2H3

Composition: C (64.49%), H (9.74%), O (25.77%)

Molar Mass: 186.251

Atom Count: 31

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	186.12559444
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	IJIXKXZGLVMEDN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.41
Topological Polar Surface Area	43.37
Polarizability	20
Ring Count	0
Rotatable Bond Count	8

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