2,3-dihydroxypropyl 2,2-dimethylbutanoate;2-(dimethylamino)ethyl 2-methylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;(5-ethyl-1,3-dioxan-5-yl)methyl 2-methylbutanoate;4-hydroxybutyl 2-methylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;(2-hydroxy-3-phenoxypropyl) 2-methylbutanoate;1-hydroxypropan-2-yl 2-methylbutanoate;2-hydroxypropyl 2-methylbutanoate;2-methoxyethyl 2-methylbutanoate

C103H197NO36 — CID 162095193

About 2,3-dihydroxypropyl 2,2-dimethylbutanoate;2-(dimethylamino)ethyl 2-methylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;(5-ethyl-1,3-dioxan-5-yl)methyl 2-methylbutanoate;4-hydroxybutyl 2-methylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;(2-hydroxy-3-phenoxypropyl) 2-methylbutanoate;1-hydroxypropan-2-yl 2-methylbutanoate;2-hydroxypropyl 2-methylbutanoate;2-methoxyethyl 2-methylbutanoate

2,3-dihydroxypropyl 2,2-dimethylbutanoate;2-(dimethylamino)ethyl 2-methylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;(5-ethyl-1,3-dioxan-5-yl)methyl 2-methylbutanoate;4-hydroxybutyl 2-methylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;(2-hydroxy-3-phenoxypropyl) 2-methylbutanoate;1-hydroxypropan-2-yl 2-methylbutanoate;2-hydroxypropyl 2-methylbutanoate;2-methoxyethyl 2-methylbutanoate (PubChem CID 162095193) has the molecular formula C103H197NO36 and a molecular weight of 2025.68 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2,2-dimethylbutanoate;2-(dimethylamino)ethyl 2-methylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;(5-ethyl-1,3-dioxan-5-yl)methyl 2-methylbutanoate;4-hydroxybutyl 2-methylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;(2-hydroxy-3-phenoxypropyl) 2-methylbutanoate;1-hydroxypropan-2-yl 2-methylbutanoate;2-hydroxypropyl 2-methylbutanoate;2-methoxyethyl 2-methylbutanoate.

Molecular Properties

• Compound Name: 2,3-dihydroxypropyl 2,2-dimethylbutanoate;2-(dimethylamino)ethyl 2-methylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;(5-ethyl-1,3-dioxan-5-yl)methyl 2-methylbutanoate;4-hydroxybutyl 2-methylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;(2-hydroxy-3-phenoxypropyl) 2-methylbutanoate;1-hydroxypropan-2-yl 2-methylbutanoate;2-hydroxypropyl 2-methylbutanoate;2-methoxyethyl 2-methylbutanoate
• PubChem CID: 162095193
• Molecular Formula: C103H197NO36
• Molecular Weight: 2025.68 g/mol
• Exact Mass: 2024.36
• IUPAC Name: 2,3-dihydroxypropyl 2,2-dimethylbutanoate;2-(dimethylamino)ethyl 2-methylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;(5-ethyl-1,3-dioxan-5-yl)methyl 2-methylbutanoate;4-hydroxybutyl 2-methylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;(2-hydroxy-3-phenoxypropyl) 2-methylbutanoate;1-hydroxypropan-2-yl 2-methylbutanoate;2-hydroxypropyl 2-methylbutanoate;2-methoxyethyl 2-methylbutanoate
• SMILES: CCC(C)(C)C(=O)OCC(O)CO.CCC(C)(C)C(=O)OCCO.CCC(C)C(=O)OC(C)CO.CCC(C)C(=O)OCC(C)O.CCC(C)C(=O)OCC(O)COc1ccccc1.CCC(C)C(=O)OCC1(CC)COCOC1.CCC(C)C(=O)OCCCCO.CCC(C)C(=O)OCCN(C)C.CCC(C)C(=O)OCCO.CCC(C)C(=O)OCCOC.CCOCCOCCOC(=O)C(C)CC
• InChI: InChI=1S/C14H20O4.C12H22O4.C11H22O4.C9H19NO2.C9H18O4.C9H18O3.4C8H16O3.C7H14O3/c1-3-11(2)14(16)18-10-12(15)9-17-13-7-5-4-6-8-13;1-4-10(3)11(13)16-8-12(5-2)6-14-9-15-7-12;1-4-10(3)11(12)15-9-8-14-7-6-13-5-2;1-5-8(2)9(11)12-7-6-10(3)4;1-4-9(2,3)8(12)13-6-7(11)5-10;1-3-8(2)9(11)12-7-5-4-6-10;1-4-8(2,3)7(10)11-6-5-9;1-4-7(2)8(9)11-6-5-10-3;1-4-6(2)8(10)11-5-7(3)9;1-4-6(2)8(10)11-7(3)5-9;1-3-6(2)7(9)10-5-4-8/h4-8,11-12,15H,3,9-10H2,1-2H3;10H,4-9H2,1-3H3;10H,4-9H2,1-3H3;8H,5-7H2,1-4H3;7,10-11H,4-6H2,1-3H3;8,10H,3-7H2,1-2H3;9H,4-6H2,1-3H3;7H,4-6H2,1-3H3;2*6-7,9H,4-5H2,1-3H3;6,8H,3-5H2,1-2H3
• InChIKey: ZEDOYPPTRMKYKV-UHFFFAOYSA-N
• XLogP: 13.09
• TPSA: 509.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 58
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2025.68
LogP ≤ 5	13.09
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2,2-dimethylbutanoate;2-(dimethylamino)ethyl 2-methylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;(5-ethyl-1,3-dioxan-5-yl)methyl 2-methylbutanoate;4-hydroxybutyl 2-methylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;(2-hydroxy-3-phenoxypropyl) 2-methylbutanoate;1-hydroxypropan-2-yl 2-methylbutanoate;2-hydroxypropyl 2-methylbutanoate;2-methoxyethyl 2-methylbutanoate?

The IUPAC name of 2,3-dihydroxypropyl 2,2-dimethylbutanoate;2-(dimethylamino)ethyl 2-methylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;(5-ethyl-1,3-dioxan-5-yl)methyl 2-methylbutanoate;4-hydroxybutyl 2-methylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;(2-hydroxy-3-phenoxypropyl) 2-methylbutanoate;1-hydroxypropan-2-yl 2-methylbutanoate;2-hydroxypropyl 2-methylbutanoate;2-methoxyethyl 2-methylbutanoate (CID 162095193) is 2,3-dihydroxypropyl 2,2-dimethylbutanoate;2-(dimethylamino)ethyl 2-methylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;(5-ethyl-1,3-dioxan-5-yl)methyl 2-methylbutanoate;4-hydroxybutyl 2-methylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;(2-hydroxy-3-phenoxypropyl) 2-methylbutanoate;1-hydroxypropan-2-yl 2-methylbutanoate;2-hydroxypropyl 2-methylbutanoate;2-methoxyethyl 2-methylbutanoate.

What is the SMILES notation for 2,3-dihydroxypropyl 2,2-dimethylbutanoate;2-(dimethylamino)ethyl 2-methylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;(5-ethyl-1,3-dioxan-5-yl)methyl 2-methylbutanoate;4-hydroxybutyl 2-methylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;(2-hydroxy-3-phenoxypropyl) 2-methylbutanoate;1-hydroxypropan-2-yl 2-methylbutanoate;2-hydroxypropyl 2-methylbutanoate;2-methoxyethyl 2-methylbutanoate?

The canonical SMILES for 2,3-dihydroxypropyl 2,2-dimethylbutanoate;2-(dimethylamino)ethyl 2-methylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;(5-ethyl-1,3-dioxan-5-yl)methyl 2-methylbutanoate;4-hydroxybutyl 2-methylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;(2-hydroxy-3-phenoxypropyl) 2-methylbutanoate;1-hydroxypropan-2-yl 2-methylbutanoate;2-hydroxypropyl 2-methylbutanoate;2-methoxyethyl 2-methylbutanoate is CCC(C)(C)C(=O)OCC(O)CO.CCC(C)(C)C(=O)OCCO.CCC(C)C(=O)OC(C)CO.CCC(C)C(=O)OCC(C)O.CCC(C)C(=O)OCC(O)COc1ccccc1.CCC(C)C(=O)OCC1(CC)COCOC1.CCC(C)C(=O)OCCCCO.CCC(C)C(=O)OCCN(C)C.CCC(C)C(=O)OCCO.CCC(C)C(=O)OCCOC.CCOCCOCCOC(=O)C(C)CC.

What is the InChIKey of 2,3-dihydroxypropyl 2,2-dimethylbutanoate;2-(dimethylamino)ethyl 2-methylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;(5-ethyl-1,3-dioxan-5-yl)methyl 2-methylbutanoate;4-hydroxybutyl 2-methylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;(2-hydroxy-3-phenoxypropyl) 2-methylbutanoate;1-hydroxypropan-2-yl 2-methylbutanoate;2-hydroxypropyl 2-methylbutanoate;2-methoxyethyl 2-methylbutanoate?

The InChIKey is ZEDOYPPTRMKYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4.C12H22O4.C11H22O4.C9H19NO2.C9H18O4.C9H18O3.4C8H16O3.C7H14O3/c1-3-11(2)14(16)18-10-12(15)9-17-13-7-5-4-6-8-13;1-4-10(3)11(13)16-8-12(5-2)6-14-9-15-7-12;1-4-10(3)11(12)15-9-8-14-7-6-13-5-2;1-5-8(2)9(11)12-7-6-10(3)4;1-4-9(2,3)8(12)13-6-7(11)5-10;1-3-8(2)9(11)12-7-5-4-6-10;1-4-8(2,3)7(10)11-6-5-9;1-4-7(2)8(9)11-6-5-10-3;1-4-6(2)8(10)11-5-7(3)9;1-4-6(2)8(10)11-7(3)5-9;1-3-6(2)7(9)10-5-4-8/h4-8,11-12,15H,3,9-10H2,1-2H3;10H,4-9H2,1-3H3;10H,4-9H2,1-3H3;8H,5-7H2,1-4H3;7,10-11H,4-6H2,1-3H3;8,10H,3-7H2,1-2H3;9H,4-6H2,1-3H3;7H,4-6H2,1-3H3;2*6-7,9H,4-5H2,1-3H3;6,8H,3-5H2,1-2H3.

What are the key properties of 2,3-dihydroxypropyl 2,2-dimethylbutanoate;2-(dimethylamino)ethyl 2-methylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;(5-ethyl-1,3-dioxan-5-yl)methyl 2-methylbutanoate;4-hydroxybutyl 2-methylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;(2-hydroxy-3-phenoxypropyl) 2-methylbutanoate;1-hydroxypropan-2-yl 2-methylbutanoate;2-hydroxypropyl 2-methylbutanoate;2-methoxyethyl 2-methylbutanoate?

2,3-dihydroxypropyl 2,2-dimethylbutanoate;2-(dimethylamino)ethyl 2-methylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;(5-ethyl-1,3-dioxan-5-yl)methyl 2-methylbutanoate;4-hydroxybutyl 2-methylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;(2-hydroxy-3-phenoxypropyl) 2-methylbutanoate;1-hydroxypropan-2-yl 2-methylbutanoate;2-hydroxypropyl 2-methylbutanoate;2-methoxyethyl 2-methylbutanoate has a molecular weight of 2025.68 g/mol, XLogP of 13.09, 58 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydroxypropyl 2,2-dimethylbutanoate;2-(dimethylamino)ethyl 2-methylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;(5-ethyl-1,3-dioxan-5-yl)methyl 2-methylbutanoate;4-hydroxybutyl 2-methylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;(2-hydroxy-3-phenoxypropyl) 2-methylbutanoate;1-hydroxypropan-2-yl 2-methylbutanoate;2-hydroxypropyl 2-methylbutanoate;2-methoxyethyl 2-methylbutanoate is sourced from PubChem (CID 162095193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).