1,5-diethyl 3-hydroxypentanedioate

1,5-diethyl 3-hydroxypentanedioate

CAS: 32328-03-3

Formula: C9H16O5

SMILES: CCOC(=O)CC(O)CC(=O)OCC

IUPAC: 1,5-diethyl 3-hydroxypentanedioate

InChI: InChI=1S/C9H16O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h7,10H,3-6H2,1-2H3

Composition: C (52.93%), H (7.90%), O (39.17%)

Molar Mass: 204.222

Atom Count: 30

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	204.099773615
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OLLQYIBTJXUEEX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.53
Topological Polar Surface Area	72.83
Polarizability	19.57
Ring Count	0
Rotatable Bond Count	8

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