1,5-dimethyl 3-oxopentanedioate

1,5-dimethyl 3-oxopentanedioate

CAS: 1830-54-2

Formula: C7H10O5

SMILES: COC(=O)CC(=O)CC(=O)OC

IUPAC: 1,5-dimethyl 3-oxopentanedioate

InChI: InChI=1S/C7H10O5/c1-11-6(9)3-5(8)4-7(10)12-2/h3-4H2,1-2H3

Composition: C (48.28%), H (5.79%), O (45.93%)

Molar Mass: 174.152

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	174.052823422
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RNJOKCPFLQMDEC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.42
Topological Polar Surface Area	69.67
Polarizability	15.41
Ring Count	0
Rotatable Bond Count	6

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