4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;1-O-butan-2-yl 5-O-methyl 3-hydroxypentanedioate;(2-hydroxy-4-methoxy-4-oxobutyl) 2,2-dimethylbutanoate;(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;[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;1-O-methyl 5-O-(2-methylbutan-2-yl) 3-hydroxypentanedioate

C123H232O56 — CID 158218469

IUPAC4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;1-O-butan-2-yl 5-O-methyl 3-hydroxypentanedioate;(2-hydroxy-4-methoxy-4-oxobutyl) 2,2-dimethylbutanoate;(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;[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;1-O-methyl 5-O-(2-methylbutan-2-yl) 3-hydroxypentanedioate
SMILESC.CCC(C)(C)C(=O)OCC(CO)C(=O)OC.CCC(C)(C)C(=O)OCC(O)CC(=O)OC.CCC(C)(C)OC(=O)CC(CO)C(=O)OC.CCC(C)(C)OC(=O)CC(O)CC(=O)OC.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(O)CC(=O)OC.CCC(C)OC(=O)CC(CO)C(=O)OC.CCC(C)OC(=O)CC(O)CC(=O)OC.CCC(C)OCC(CO)C(=O)OC.CCC(C)OCC(O)CC(=O)OC
InChIInChI=1S/4C11H20O5.4C10H18O5.2C10H20O4.2C9H18O4.CH4/c1-5-11(2,3)10(14)16-7-8(6-12)9(13)15-4;1-5-11(2,3)10(14)16-7-8(12)6-9(13)15-4;1-5-11(2,3)16-9(13)6-8(7-12)10(14)15-4;1-5-11(2,3)16-10(14)7-8(12)6-9(13)15-4;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;1-4-7(2)10(13)15-6-8(11)5-9(12)14-3;1-4-7(2)15-10(13)6-8(11)5-9(12)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;1-4-7(2)13-6-8(5-10)9(11)12-3;1-4-7(2)13-6-8(10)5-9(11)12-3;/h4*8,12H,5-7H2,1-4H3;4*7-8,11H,4-6H2,1-3H3;2*8,11H,5-7H2,1-4H3;2*7-8,10H,4-6H2,1-3H3;1H4
InChIKeyGCYLEUQULPMEFU-UHFFFAOYSA-N
MW2607.15 g/mol
LogP9.59
Rot. Bonds72

About 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;1-O-butan-2-yl 5-O-methyl 3-hydroxypentanedioate;(2-hydroxy-4-methoxy-4-oxobutyl) 2,2-dimethylbutanoate;(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;[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;1-O-methyl 5-O-(2-methylbutan-2-yl) 3-hydroxypentanedioate

4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;1-O-butan-2-yl 5-O-methyl 3-hydroxypentanedioate;(2-hydroxy-4-methoxy-4-oxobutyl) 2,2-dimethylbutanoate;(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;[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;1-O-methyl 5-O-(2-methylbutan-2-yl) 3-hydroxypentanedioate (PubChem CID 158218469) has the molecular formula C123H232O56 and a molecular weight of 2607.15 g/mol. Its IUPAC name is 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;1-O-butan-2-yl 5-O-methyl 3-hydroxypentanedioate;(2-hydroxy-4-methoxy-4-oxobutyl) 2,2-dimethylbutanoate;(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;[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;1-O-methyl 5-O-(2-methylbutan-2-yl) 3-hydroxypentanedioate.

Molecular Properties

Compound Name4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;1-O-butan-2-yl 5-O-methyl 3-hydroxypentanedioate;(2-hydroxy-4-methoxy-4-oxobutyl) 2,2-dimethylbutanoate;(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;[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;1-O-methyl 5-O-(2-methylbutan-2-yl) 3-hydroxypentanedioate
PubChem CID158218469
Molecular FormulaC123H232O56
Molecular Weight2607.15 g/mol
Exact Mass2605.53
IUPAC Name4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;1-O-butan-2-yl 5-O-methyl 3-hydroxypentanedioate;(2-hydroxy-4-methoxy-4-oxobutyl) 2,2-dimethylbutanoate;(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;[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;1-O-methyl 5-O-(2-methylbutan-2-yl) 3-hydroxypentanedioate
SMILESC.CCC(C)(C)C(=O)OCC(CO)C(=O)OC.CCC(C)(C)C(=O)OCC(O)CC(=O)OC.CCC(C)(C)OC(=O)CC(CO)C(=O)OC.CCC(C)(C)OC(=O)CC(O)CC(=O)OC.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(O)CC(=O)OC.CCC(C)OC(=O)CC(CO)C(=O)OC.CCC(C)OC(=O)CC(O)CC(=O)OC.CCC(C)OCC(CO)C(=O)OC.CCC(C)OCC(O)CC(=O)OC
InChIInChI=1S/4C11H20O5.4C10H18O5.2C10H20O4.2C9H18O4.CH4/c1-5-11(2,3)10(14)16-7-8(6-12)9(13)15-4;1-5-11(2,3)10(14)16-7-8(12)6-9(13)15-4;1-5-11(2,3)16-9(13)6-8(7-12)10(14)15-4;1-5-11(2,3)16-10(14)7-8(12)6-9(13)15-4;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;1-4-7(2)10(13)15-6-8(11)5-9(12)14-3;1-4-7(2)15-10(13)6-8(11)5-9(12)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;1-4-7(2)13-6-8(5-10)9(11)12-3;1-4-7(2)13-6-8(10)5-9(11)12-3;/h4*8,12H,5-7H2,1-4H3;4*7-8,11H,4-6H2,1-3H3;2*8,11H,5-7H2,1-4H3;2*7-8,10H,4-6H2,1-3H3;1H4
InChIKeyGCYLEUQULPMEFU-UHFFFAOYSA-N
XLogP9.59
TPSA805.68 Ų
H-Bond Donors12
H-Bond Acceptors56
Rotatable Bonds72
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002607.15
LogP ≤ 59.59
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1056

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;1-O-butan-2-yl 5-O-methyl 3-hydroxypentanedioate;(2-hydroxy-4-methoxy-4-oxobutyl) 2,2-dimethylbutanoate;(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;[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;1-O-methyl 5-O-(2-methylbutan-2-yl) 3-hydroxypentanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;1-O-butan-2-yl 5-O-methyl 3-hydroxypentanedioate;(2-hydroxy-4-methoxy-4-oxobutyl) 2,2-dimethylbutanoate;(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;[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;1-O-methyl 5-O-(2-methylbutan-2-yl) 3-hydroxypentanedioate?
The IUPAC name of 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;1-O-butan-2-yl 5-O-methyl 3-hydroxypentanedioate;(2-hydroxy-4-methoxy-4-oxobutyl) 2,2-dimethylbutanoate;(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;[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;1-O-methyl 5-O-(2-methylbutan-2-yl) 3-hydroxypentanedioate (CID 158218469) is 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;1-O-butan-2-yl 5-O-methyl 3-hydroxypentanedioate;(2-hydroxy-4-methoxy-4-oxobutyl) 2,2-dimethylbutanoate;(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;[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;1-O-methyl 5-O-(2-methylbutan-2-yl) 3-hydroxypentanedioate.
What is the SMILES notation for 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;1-O-butan-2-yl 5-O-methyl 3-hydroxypentanedioate;(2-hydroxy-4-methoxy-4-oxobutyl) 2,2-dimethylbutanoate;(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;[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;1-O-methyl 5-O-(2-methylbutan-2-yl) 3-hydroxypentanedioate?
The canonical SMILES for 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;1-O-butan-2-yl 5-O-methyl 3-hydroxypentanedioate;(2-hydroxy-4-methoxy-4-oxobutyl) 2,2-dimethylbutanoate;(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;[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;1-O-methyl 5-O-(2-methylbutan-2-yl) 3-hydroxypentanedioate is C.CCC(C)(C)C(=O)OCC(CO)C(=O)OC.CCC(C)(C)C(=O)OCC(O)CC(=O)OC.CCC(C)(C)OC(=O)CC(CO)C(=O)OC.CCC(C)(C)OC(=O)CC(O)CC(=O)OC.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(O)CC(=O)OC.CCC(C)OC(=O)CC(CO)C(=O)OC.CCC(C)OC(=O)CC(O)CC(=O)OC.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;1-O-butan-2-yl 5-O-methyl 3-hydroxypentanedioate;(2-hydroxy-4-methoxy-4-oxobutyl) 2,2-dimethylbutanoate;(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;[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;1-O-methyl 5-O-(2-methylbutan-2-yl) 3-hydroxypentanedioate?
The InChIKey is GCYLEUQULPMEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H20O5.4C10H18O5.2C10H20O4.2C9H18O4.CH4/c1-5-11(2,3)10(14)16-7-8(6-12)9(13)15-4;1-5-11(2,3)10(14)16-7-8(12)6-9(13)15-4;1-5-11(2,3)16-9(13)6-8(7-12)10(14)15-4;1-5-11(2,3)16-10(14)7-8(12)6-9(13)15-4;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;1-4-7(2)10(13)15-6-8(11)5-9(12)14-3;1-4-7(2)15-10(13)6-8(11)5-9(12)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;1-4-7(2)13-6-8(5-10)9(11)12-3;1-4-7(2)13-6-8(10)5-9(11)12-3;/h4*8,12H,5-7H2,1-4H3;4*7-8,11H,4-6H2,1-3H3;2*8,11H,5-7H2,1-4H3;2*7-8,10H,4-6H2,1-3H3;1H4.
What are the key properties of 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;1-O-butan-2-yl 5-O-methyl 3-hydroxypentanedioate;(2-hydroxy-4-methoxy-4-oxobutyl) 2,2-dimethylbutanoate;(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;[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;1-O-methyl 5-O-(2-methylbutan-2-yl) 3-hydroxypentanedioate?
4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;1-O-butan-2-yl 5-O-methyl 3-hydroxypentanedioate;(2-hydroxy-4-methoxy-4-oxobutyl) 2,2-dimethylbutanoate;(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;[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;1-O-methyl 5-O-(2-methylbutan-2-yl) 3-hydroxypentanedioate has a molecular weight of 2607.15 g/mol, XLogP of 9.59, 72 rotatable bonds, 12 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;1-O-butan-2-yl 5-O-methyl 3-hydroxypentanedioate;(2-hydroxy-4-methoxy-4-oxobutyl) 2,2-dimethylbutanoate;(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;[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;1-O-methyl 5-O-(2-methylbutan-2-yl) 3-hydroxypentanedioate is sourced from PubChem (CID 158218469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).