1,5-dimethyl 3-methylpentanedioate

1,5-dimethyl 3-methylpentanedioate

CAS: 19013-37-7

Formula: C8H14O4

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

IUPAC: 1,5-dimethyl 3-methylpentanedioate

InChI: InChI=1S/C8H14O4/c1-6(4-7(9)11-2)5-8(10)12-3/h6H,4-5H2,1-3H3

Composition: C (55.16%), H (8.10%), O (36.74%)

Molar Mass: 174.196

Atom Count: 26

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	174.089208931
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YIJLMTNDXYVGPQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.22
Topological Polar Surface Area	52.6
Polarizability	17.07
Ring Count	0
Rotatable Bond Count	6

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