4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;5-butan-2-yloxy-3-hydroxy-5-oxopentanoic acid;4-(2,2-dimethylbutanoyloxy)-3-hydroxybutanoic acid;3-hydroxy-4-(2-methylbutanoyloxy)butanoic acid;3-hydroxy-5-(2-methylbutan-2-yloxy)-5-oxopentanoic acid;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;bis([2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2-methylbutanoate);methane;methyl 4-butan-2-yloxy-3-hydroxybutanoate;methyl 2-(butan-2-yloxymethyl)-3-hydroxypropanoate;methyl 3-hydroxy-4-(2-methylbutan-2-yloxy)butanoate;methyl 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanoate;1-O-methyl 4-O-(2-methylbutan-2-yl) 2-(hydroxymethyl)butanedioate

C132H254O61 — CID 158535950

IUPAC4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;5-butan-2-yloxy-3-hydroxy-5-oxopentanoic acid;4-(2,2-dimethylbutanoyloxy)-3-hydroxybutanoic acid;3-hydroxy-4-(2-methylbutanoyloxy)butanoic acid;3-hydroxy-5-(2-methylbutan-2-yloxy)-5-oxopentanoic acid;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;bis([2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2-methylbutanoate);methane;methyl 4-butan-2-yloxy-3-hydroxybutanoate;methyl 2-(butan-2-yloxymethyl)-3-hydroxypropanoate;methyl 3-hydroxy-4-(2-methylbutan-2-yloxy)butanoate;methyl 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanoate;1-O-methyl 4-O-(2-methylbutan-2-yl) 2-(hydroxymethyl)butanedioate
SMILESC.C.C.C.CCC(C)(C)C(=O)OCC(CO)C(=O)OC.CCC(C)(C)C(=O)OCC(O)CC(=O)O.CCC(C)(C)OC(=O)CC(CO)C(=O)OC.CCC(C)(C)OC(=O)CC(O)CC(=O)O.CCC(C)(C)OCC(CO)C(=O)OC.CCC(C)(C)OCC(O)CC(=O)OC.CCC(C)C(=O)OCC(CO)C(=O)OC.CCC(C)C(=O)OCC(CO)C(=O)OC.CCC(C)C(=O)OCC(O)CC(=O)O.CCC(C)OC(=O)CC(CO)C(=O)OC.CCC(C)OC(=O)CC(O)CC(=O)O.CCC(C)OCC(CO)C(=O)OC.CCC(C)OCC(O)CC(=O)OC
InChIInChI=1S/2C11H20O5.5C10H18O5.2C10H20O4.2C9H16O5.2C9H18O4.4CH4/c1-5-11(2,3)10(14)16-7-8(6-12)9(13)15-4;1-5-11(2,3)16-9(13)6-8(7-12)10(14)15-4;1-4-10(2,3)9(14)15-6-7(11)5-8(12)13;1-4-10(2,3)15-9(14)6-7(11)5-8(12)13;2*1-4-7(2)9(12)15-6-8(5-11)10(13)14-3;1-4-7(2)15-9(12)5-8(6-11)10(13)14-3;1-5-10(2,3)14-7-8(6-11)9(12)13-4;1-5-10(2,3)14-7-8(11)6-9(12)13-4;1-3-6(2)9(13)14-5-7(10)4-8(11)12;1-3-6(2)14-9(13)5-7(10)4-8(11)12;1-4-7(2)13-6-8(5-10)9(11)12-3;1-4-7(2)13-6-8(10)5-9(11)12-3;;;;/h2*8,12H,5-7H2,1-4H3;2*7,11H,4-6H2,1-3H3,(H,12,13);3*7-8,11H,4-6H2,1-3H3;2*8,11H,5-7H2,1-4H3;2*6-7,10H,3-5H2,1-2H3,(H,11,12);2*7-8,10H,4-6H2,1-3H3;4*1H4
InChIKeyHNYFZCXQPAPSHH-UHFFFAOYSA-N
MW2817.42 g/mol
LogP11.50
Rot. Bonds78

About 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;5-butan-2-yloxy-3-hydroxy-5-oxopentanoic acid;4-(2,2-dimethylbutanoyloxy)-3-hydroxybutanoic acid;3-hydroxy-4-(2-methylbutanoyloxy)butanoic acid;3-hydroxy-5-(2-methylbutan-2-yloxy)-5-oxopentanoic acid;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;bis([2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2-methylbutanoate);methane;methyl 4-butan-2-yloxy-3-hydroxybutanoate;methyl 2-(butan-2-yloxymethyl)-3-hydroxypropanoate;methyl 3-hydroxy-4-(2-methylbutan-2-yloxy)butanoate;methyl 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanoate;1-O-methyl 4-O-(2-methylbutan-2-yl) 2-(hydroxymethyl)butanedioate

4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;5-butan-2-yloxy-3-hydroxy-5-oxopentanoic acid;4-(2,2-dimethylbutanoyloxy)-3-hydroxybutanoic acid;3-hydroxy-4-(2-methylbutanoyloxy)butanoic acid;3-hydroxy-5-(2-methylbutan-2-yloxy)-5-oxopentanoic acid;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;bis([2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2-methylbutanoate);methane;methyl 4-butan-2-yloxy-3-hydroxybutanoate;methyl 2-(butan-2-yloxymethyl)-3-hydroxypropanoate;methyl 3-hydroxy-4-(2-methylbutan-2-yloxy)butanoate;methyl 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanoate;1-O-methyl 4-O-(2-methylbutan-2-yl) 2-(hydroxymethyl)butanedioate (PubChem CID 158535950) has the molecular formula C132H254O61 and a molecular weight of 2817.42 g/mol. Its IUPAC name is 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;5-butan-2-yloxy-3-hydroxy-5-oxopentanoic acid;4-(2,2-dimethylbutanoyloxy)-3-hydroxybutanoic acid;3-hydroxy-4-(2-methylbutanoyloxy)butanoic acid;3-hydroxy-5-(2-methylbutan-2-yloxy)-5-oxopentanoic acid;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;bis([2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2-methylbutanoate);methane;methyl 4-butan-2-yloxy-3-hydroxybutanoate;methyl 2-(butan-2-yloxymethyl)-3-hydroxypropanoate;methyl 3-hydroxy-4-(2-methylbutan-2-yloxy)butanoate;methyl 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanoate;1-O-methyl 4-O-(2-methylbutan-2-yl) 2-(hydroxymethyl)butanedioate.

Molecular Properties

Compound Name4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;5-butan-2-yloxy-3-hydroxy-5-oxopentanoic acid;4-(2,2-dimethylbutanoyloxy)-3-hydroxybutanoic acid;3-hydroxy-4-(2-methylbutanoyloxy)butanoic acid;3-hydroxy-5-(2-methylbutan-2-yloxy)-5-oxopentanoic acid;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;bis([2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2-methylbutanoate);methane;methyl 4-butan-2-yloxy-3-hydroxybutanoate;methyl 2-(butan-2-yloxymethyl)-3-hydroxypropanoate;methyl 3-hydroxy-4-(2-methylbutan-2-yloxy)butanoate;methyl 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanoate;1-O-methyl 4-O-(2-methylbutan-2-yl) 2-(hydroxymethyl)butanedioate
PubChem CID158535950
Molecular FormulaC132H254O61
Molecular Weight2817.42 g/mol
Exact Mass2815.68
IUPAC Name4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;5-butan-2-yloxy-3-hydroxy-5-oxopentanoic acid;4-(2,2-dimethylbutanoyloxy)-3-hydroxybutanoic acid;3-hydroxy-4-(2-methylbutanoyloxy)butanoic acid;3-hydroxy-5-(2-methylbutan-2-yloxy)-5-oxopentanoic acid;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;bis([2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2-methylbutanoate);methane;methyl 4-butan-2-yloxy-3-hydroxybutanoate;methyl 2-(butan-2-yloxymethyl)-3-hydroxypropanoate;methyl 3-hydroxy-4-(2-methylbutan-2-yloxy)butanoate;methyl 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanoate;1-O-methyl 4-O-(2-methylbutan-2-yl) 2-(hydroxymethyl)butanedioate
SMILESC.C.C.C.CCC(C)(C)C(=O)OCC(CO)C(=O)OC.CCC(C)(C)C(=O)OCC(O)CC(=O)O.CCC(C)(C)OC(=O)CC(CO)C(=O)OC.CCC(C)(C)OC(=O)CC(O)CC(=O)O.CCC(C)(C)OCC(CO)C(=O)OC.CCC(C)(C)OCC(O)CC(=O)OC.CCC(C)C(=O)OCC(CO)C(=O)OC.CCC(C)C(=O)OCC(CO)C(=O)OC.CCC(C)C(=O)OCC(O)CC(=O)O.CCC(C)OC(=O)CC(CO)C(=O)OC.CCC(C)OC(=O)CC(O)CC(=O)O.CCC(C)OCC(CO)C(=O)OC.CCC(C)OCC(O)CC(=O)OC
InChIInChI=1S/2C11H20O5.5C10H18O5.2C10H20O4.2C9H16O5.2C9H18O4.4CH4/c1-5-11(2,3)10(14)16-7-8(6-12)9(13)15-4;1-5-11(2,3)16-9(13)6-8(7-12)10(14)15-4;1-4-10(2,3)9(14)15-6-7(11)5-8(12)13;1-4-10(2,3)15-9(14)6-7(11)5-8(12)13;2*1-4-7(2)9(12)15-6-8(5-11)10(13)14-3;1-4-7(2)15-9(12)5-8(6-11)10(13)14-3;1-5-10(2,3)14-7-8(6-11)9(12)13-4;1-5-10(2,3)14-7-8(11)6-9(12)13-4;1-3-6(2)9(13)14-5-7(10)4-8(11)12;1-3-6(2)14-9(13)5-7(10)4-8(11)12;1-4-7(2)13-6-8(5-10)9(11)12-3;1-4-7(2)13-6-8(10)5-9(11)12-3;;;;/h2*8,12H,5-7H2,1-4H3;2*7,11H,4-6H2,1-3H3,(H,12,13);3*7-8,11H,4-6H2,1-3H3;2*8,11H,5-7H2,1-4H3;2*6-7,10H,3-5H2,1-2H3,(H,11,12);2*7-8,10H,4-6H2,1-3H3;4*1H4
InChIKeyHNYFZCXQPAPSHH-UHFFFAOYSA-N
XLogP11.50
TPSA922.51 Ų
H-Bond Donors17
H-Bond Acceptors57
Rotatable Bonds78
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002817.42
LogP ≤ 511.50
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;5-butan-2-yloxy-3-hydroxy-5-oxopentanoic acid;4-(2,2-dimethylbutanoyloxy)-3-hydroxybutanoic acid;3-hydroxy-4-(2-methylbutanoyloxy)butanoic acid;3-hydroxy-5-(2-methylbutan-2-yloxy)-5-oxopentanoic acid;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;bis([2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2-methylbutanoate);methane;methyl 4-butan-2-yloxy-3-hydroxybutanoate;methyl 2-(butan-2-yloxymethyl)-3-hydroxypropanoate;methyl 3-hydroxy-4-(2-methylbutan-2-yloxy)butanoate;methyl 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanoate;1-O-methyl 4-O-(2-methylbutan-2-yl) 2-(hydroxymethyl)butanedioate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;5-butan-2-yloxy-3-hydroxy-5-oxopentanoic acid;4-(2,2-dimethylbutanoyloxy)-3-hydroxybutanoic acid;3-hydroxy-4-(2-methylbutanoyloxy)butanoic acid;3-hydroxy-5-(2-methylbutan-2-yloxy)-5-oxopentanoic acid;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;bis([2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2-methylbutanoate);methane;methyl 4-butan-2-yloxy-3-hydroxybutanoate;methyl 2-(butan-2-yloxymethyl)-3-hydroxypropanoate;methyl 3-hydroxy-4-(2-methylbutan-2-yloxy)butanoate;methyl 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanoate;1-O-methyl 4-O-(2-methylbutan-2-yl) 2-(hydroxymethyl)butanedioate?
The IUPAC name of 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;5-butan-2-yloxy-3-hydroxy-5-oxopentanoic acid;4-(2,2-dimethylbutanoyloxy)-3-hydroxybutanoic acid;3-hydroxy-4-(2-methylbutanoyloxy)butanoic acid;3-hydroxy-5-(2-methylbutan-2-yloxy)-5-oxopentanoic acid;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;bis([2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2-methylbutanoate);methane;methyl 4-butan-2-yloxy-3-hydroxybutanoate;methyl 2-(butan-2-yloxymethyl)-3-hydroxypropanoate;methyl 3-hydroxy-4-(2-methylbutan-2-yloxy)butanoate;methyl 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanoate;1-O-methyl 4-O-(2-methylbutan-2-yl) 2-(hydroxymethyl)butanedioate (CID 158535950) is 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;5-butan-2-yloxy-3-hydroxy-5-oxopentanoic acid;4-(2,2-dimethylbutanoyloxy)-3-hydroxybutanoic acid;3-hydroxy-4-(2-methylbutanoyloxy)butanoic acid;3-hydroxy-5-(2-methylbutan-2-yloxy)-5-oxopentanoic acid;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;bis([2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2-methylbutanoate);methane;methyl 4-butan-2-yloxy-3-hydroxybutanoate;methyl 2-(butan-2-yloxymethyl)-3-hydroxypropanoate;methyl 3-hydroxy-4-(2-methylbutan-2-yloxy)butanoate;methyl 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanoate;1-O-methyl 4-O-(2-methylbutan-2-yl) 2-(hydroxymethyl)butanedioate.
What is the SMILES notation for 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;5-butan-2-yloxy-3-hydroxy-5-oxopentanoic acid;4-(2,2-dimethylbutanoyloxy)-3-hydroxybutanoic acid;3-hydroxy-4-(2-methylbutanoyloxy)butanoic acid;3-hydroxy-5-(2-methylbutan-2-yloxy)-5-oxopentanoic acid;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;bis([2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2-methylbutanoate);methane;methyl 4-butan-2-yloxy-3-hydroxybutanoate;methyl 2-(butan-2-yloxymethyl)-3-hydroxypropanoate;methyl 3-hydroxy-4-(2-methylbutan-2-yloxy)butanoate;methyl 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanoate;1-O-methyl 4-O-(2-methylbutan-2-yl) 2-(hydroxymethyl)butanedioate?
The canonical SMILES for 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;5-butan-2-yloxy-3-hydroxy-5-oxopentanoic acid;4-(2,2-dimethylbutanoyloxy)-3-hydroxybutanoic acid;3-hydroxy-4-(2-methylbutanoyloxy)butanoic acid;3-hydroxy-5-(2-methylbutan-2-yloxy)-5-oxopentanoic acid;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;bis([2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2-methylbutanoate);methane;methyl 4-butan-2-yloxy-3-hydroxybutanoate;methyl 2-(butan-2-yloxymethyl)-3-hydroxypropanoate;methyl 3-hydroxy-4-(2-methylbutan-2-yloxy)butanoate;methyl 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanoate;1-O-methyl 4-O-(2-methylbutan-2-yl) 2-(hydroxymethyl)butanedioate is C.C.C.C.CCC(C)(C)C(=O)OCC(CO)C(=O)OC.CCC(C)(C)C(=O)OCC(O)CC(=O)O.CCC(C)(C)OC(=O)CC(CO)C(=O)OC.CCC(C)(C)OC(=O)CC(O)CC(=O)O.CCC(C)(C)OCC(CO)C(=O)OC.CCC(C)(C)OCC(O)CC(=O)OC.CCC(C)C(=O)OCC(CO)C(=O)OC.CCC(C)C(=O)OCC(CO)C(=O)OC.CCC(C)C(=O)OCC(O)CC(=O)O.CCC(C)OC(=O)CC(CO)C(=O)OC.CCC(C)OC(=O)CC(O)CC(=O)O.CCC(C)OCC(CO)C(=O)OC.CCC(C)OCC(O)CC(=O)OC.
What is the InChIKey of 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;5-butan-2-yloxy-3-hydroxy-5-oxopentanoic acid;4-(2,2-dimethylbutanoyloxy)-3-hydroxybutanoic acid;3-hydroxy-4-(2-methylbutanoyloxy)butanoic acid;3-hydroxy-5-(2-methylbutan-2-yloxy)-5-oxopentanoic acid;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;bis([2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2-methylbutanoate);methane;methyl 4-butan-2-yloxy-3-hydroxybutanoate;methyl 2-(butan-2-yloxymethyl)-3-hydroxypropanoate;methyl 3-hydroxy-4-(2-methylbutan-2-yloxy)butanoate;methyl 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanoate;1-O-methyl 4-O-(2-methylbutan-2-yl) 2-(hydroxymethyl)butanedioate?
The InChIKey is HNYFZCXQPAPSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H20O5.5C10H18O5.2C10H20O4.2C9H16O5.2C9H18O4.4CH4/c1-5-11(2,3)10(14)16-7-8(6-12)9(13)15-4;1-5-11(2,3)16-9(13)6-8(7-12)10(14)15-4;1-4-10(2,3)9(14)15-6-7(11)5-8(12)13;1-4-10(2,3)15-9(14)6-7(11)5-8(12)13;2*1-4-7(2)9(12)15-6-8(5-11)10(13)14-3;1-4-7(2)15-9(12)5-8(6-11)10(13)14-3;1-5-10(2,3)14-7-8(6-11)9(12)13-4;1-5-10(2,3)14-7-8(11)6-9(12)13-4;1-3-6(2)9(13)14-5-7(10)4-8(11)12;1-3-6(2)14-9(13)5-7(10)4-8(11)12;1-4-7(2)13-6-8(5-10)9(11)12-3;1-4-7(2)13-6-8(10)5-9(11)12-3;;;;/h2*8,12H,5-7H2,1-4H3;2*7,11H,4-6H2,1-3H3,(H,12,13);3*7-8,11H,4-6H2,1-3H3;2*8,11H,5-7H2,1-4H3;2*6-7,10H,3-5H2,1-2H3,(H,11,12);2*7-8,10H,4-6H2,1-3H3;4*1H4.
What are the key properties of 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;5-butan-2-yloxy-3-hydroxy-5-oxopentanoic acid;4-(2,2-dimethylbutanoyloxy)-3-hydroxybutanoic acid;3-hydroxy-4-(2-methylbutanoyloxy)butanoic acid;3-hydroxy-5-(2-methylbutan-2-yloxy)-5-oxopentanoic acid;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;bis([2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2-methylbutanoate);methane;methyl 4-butan-2-yloxy-3-hydroxybutanoate;methyl 2-(butan-2-yloxymethyl)-3-hydroxypropanoate;methyl 3-hydroxy-4-(2-methylbutan-2-yloxy)butanoate;methyl 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanoate;1-O-methyl 4-O-(2-methylbutan-2-yl) 2-(hydroxymethyl)butanedioate?
4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;5-butan-2-yloxy-3-hydroxy-5-oxopentanoic acid;4-(2,2-dimethylbutanoyloxy)-3-hydroxybutanoic acid;3-hydroxy-4-(2-methylbutanoyloxy)butanoic acid;3-hydroxy-5-(2-methylbutan-2-yloxy)-5-oxopentanoic acid;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;bis([2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2-methylbutanoate);methane;methyl 4-butan-2-yloxy-3-hydroxybutanoate;methyl 2-(butan-2-yloxymethyl)-3-hydroxypropanoate;methyl 3-hydroxy-4-(2-methylbutan-2-yloxy)butanoate;methyl 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanoate;1-O-methyl 4-O-(2-methylbutan-2-yl) 2-(hydroxymethyl)butanedioate has a molecular weight of 2817.42 g/mol, XLogP of 11.50, 78 rotatable bonds, 17 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;5-butan-2-yloxy-3-hydroxy-5-oxopentanoic acid;4-(2,2-dimethylbutanoyloxy)-3-hydroxybutanoic acid;3-hydroxy-4-(2-methylbutanoyloxy)butanoic acid;3-hydroxy-5-(2-methylbutan-2-yloxy)-5-oxopentanoic acid;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;bis([2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2-methylbutanoate);methane;methyl 4-butan-2-yloxy-3-hydroxybutanoate;methyl 2-(butan-2-yloxymethyl)-3-hydroxypropanoate;methyl 3-hydroxy-4-(2-methylbutan-2-yloxy)butanoate;methyl 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanoate;1-O-methyl 4-O-(2-methylbutan-2-yl) 2-(hydroxymethyl)butanedioate is sourced from PubChem (CID 158535950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).