1,3-dimethyl 2,2-bis(2-methylpropyl)propanedioate

1,3-dimethyl 2,2-bis(2-methylpropyl)propanedioate

CAS: 1229311-50-5

Formula: C13H24O4

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

IUPAC: 1,3-dimethyl 2,2-bis(2-methylpropyl)propanedioate

InChI: InChI=1S/C13H24O4/c1-9(2)7-13(8-10(3)4,11(14)16-5)12(15)17-6/h9-10H,7-8H2,1-6H3

Composition: C (63.91%), H (9.90%), O (26.19%)

Molar Mass: 244.331

Atom Count: 41

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	244.167459253
Formal Charge	0
FSP3	0.85
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	VMSDGXIKDYLSHB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.1
Topological Polar Surface Area	52.6
Polarizability	26.22
Ring Count	0
Rotatable Bond Count	8

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