1,5-diethyl 3-oxopentanedioate

1,5-diethyl 3-oxopentanedioate

CAS: 105-50-0

Formula: C9H14O5

SMILES: CCOC(=O)CC(=O)CC(=O)OCC

IUPAC: 1,5-diethyl 3-oxopentanedioate

InChI: InChI=1S/C9H14O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h3-6H2,1-2H3

Composition: C (53.46%), H (6.98%), O (39.56%)

Molar Mass: 202.206

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	202.084123551
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZSANYRMTSBBUCA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.92
Topological Polar Surface Area	69.67
Polarizability	19.04
Ring Count	0
Rotatable Bond Count	8

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