1,4-dimethyl 2-hydroxybutanedioate

1,4-dimethyl 2-hydroxybutanedioate

CAS: 1587-15-1

Formula: C6H10O5

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

IUPAC: 1,4-dimethyl 2-hydroxybutanedioate

InChI: InChI=1/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3

Composition: C (44.45%), H (6.22%), O (49.34%)

Molar Mass: 162.141

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	162.052823422
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YSEKNCXYRGKTBJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.41
Topological Polar Surface Area	72.83
Polarizability	14.14
Ring Count	0
Rotatable Bond Count	5

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