1,4-dimethyl 2-methylbutanedioate

1,4-dimethyl 2-methylbutanedioate

CAS: 1604-11-1

Formula: C7H12O4

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

IUPAC: 1,4-dimethyl 2-methylbutanedioate

InChI: InChI=1/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3

Composition: C (52.49%), H (7.55%), O (39.96%)

Molar Mass: 160.169

Atom Count: 23

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	160.073558866
Formal Charge	0
FSP3	0.71
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NFOQJNGQQXICBY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.65
Topological Polar Surface Area	52.6
Polarizability	15.25
Ring Count	0
Rotatable Bond Count	5

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