1,5-dimethyl (2E)-3-methylpent-2-enedioate

1,5-dimethyl (2E)-3-methylpent-2-enedioate

CAS: 52313-87-8

Formula: C8H12O4

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

IUPAC: 1,5-dimethyl (2E)-3-methylpent-2-enedioate

InChI: InChI=1S/C8H12O4/c1-6(4-7(9)11-2)5-8(10)12-3/h4H,5H2,1-3H3/b6-4+

Composition: C (55.81%), H (7.03%), O (37.17%)

Molar Mass: 172.18

Atom Count: 24

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	172.073558866
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GBQBEQOEGMZCOH-GQCTYLIASA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.05
Topological Polar Surface Area	52.6
Polarizability	16.82
Ring Count	0
Rotatable Bond Count	5

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