tert-butyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate;methyl 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;methyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxybutanoate;methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate

C90H162O26 — CID 160828018

About tert-butyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate;methyl 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;methyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxybutanoate;methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate

tert-butyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate;methyl 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;methyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxybutanoate;methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate (PubChem CID 160828018) has the molecular formula C90H162O26 and a molecular weight of 1660.26 g/mol. Its IUPAC name is tert-butyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate;methyl 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;methyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxybutanoate;methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate;methyl 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;methyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxybutanoate;methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate
• PubChem CID: 160828018
• Molecular Formula: C90H162O26
• Molecular Weight: 1660.26 g/mol
• Exact Mass: 1659.14
• IUPAC Name: tert-butyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate;methyl 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;methyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxybutanoate;methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate
• SMILES: CCC1CC(C(CC(=O)OC)OC(C)=O)C(CC)O1.CCC1CC(C(CC(=O)OC)OC2CCCCO2)C(CC)O1.CCC1CC(C)(C(=O)OC2CCCCO2)C(CC)O1.CCC1CC(CC(C)(O)CC(=O)OC(C)(C)C)C(CC)O1.CCC1CC(CC(O)CC(=O)OC)C(CC)O1.CCOC(C)OC(=O)C1C(CC)OC(CC)C1C
• InChI: InChI=1S/C17H30O5.C17H32O4.C15H26O4.C14H24O5.C14H26O4.C13H24O4/c1-4-12-10-13(14(5-2)21-12)15(11-16(18)19-3)22-17-8-6-7-9-20-17;1-7-13-9-12(14(8-2)20-13)10-17(6,19)11-15(18)21-16(3,4)5;1-4-11-10-15(3,12(5-2)18-11)14(16)19-13-8-6-7-9-17-13;1-5-10-7-11(12(6-2)19-10)13(18-9(3)15)8-14(16)17-4;1-6-11-9(4)13(12(7-2)18-11)14(15)17-10(5)16-8-3;1-4-11-7-9(12(5-2)17-11)6-10(14)8-13(15)16-3/h12-15,17H,4-11H2,1-3H3;12-14,19H,7-11H2,1-6H3;11-13H,4-10H2,1-3H3;10-13H,5-8H2,1-4H3;9-13H,6-8H2,1-5H3;9-12,14H,4-8H2,1-3H3
• InChIKey: SGKYVBCFLFYMLD-UHFFFAOYSA-N
• XLogP: 16.27
• TPSA: 316.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 35
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1660.26
LogP ≤ 5	16.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate;methyl 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;methyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxybutanoate;methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate?

The IUPAC name of tert-butyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate;methyl 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;methyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxybutanoate;methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate (CID 160828018) is tert-butyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate;methyl 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;methyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxybutanoate;methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate.

What is the SMILES notation for tert-butyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate;methyl 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;methyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxybutanoate;methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate?

The canonical SMILES for tert-butyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate;methyl 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;methyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxybutanoate;methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate is CCC1CC(C(CC(=O)OC)OC(C)=O)C(CC)O1.CCC1CC(C(CC(=O)OC)OC2CCCCO2)C(CC)O1.CCC1CC(C)(C(=O)OC2CCCCO2)C(CC)O1.CCC1CC(CC(C)(O)CC(=O)OC(C)(C)C)C(CC)O1.CCC1CC(CC(O)CC(=O)OC)C(CC)O1.CCOC(C)OC(=O)C1C(CC)OC(CC)C1C.

What is the InChIKey of tert-butyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate;methyl 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;methyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxybutanoate;methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate?

The InChIKey is SGKYVBCFLFYMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O5.C17H32O4.C15H26O4.C14H24O5.C14H26O4.C13H24O4/c1-4-12-10-13(14(5-2)21-12)15(11-16(18)19-3)22-17-8-6-7-9-20-17;1-7-13-9-12(14(8-2)20-13)10-17(6,19)11-15(18)21-16(3,4)5;1-4-11-10-15(3,12(5-2)18-11)14(16)19-13-8-6-7-9-17-13;1-5-10-7-11(12(6-2)19-10)13(18-9(3)15)8-14(16)17-4;1-6-11-9(4)13(12(7-2)18-11)14(15)17-10(5)16-8-3;1-4-11-7-9(12(5-2)17-11)6-10(14)8-13(15)16-3/h12-15,17H,4-11H2,1-3H3;12-14,19H,7-11H2,1-6H3;11-13H,4-10H2,1-3H3;10-13H,5-8H2,1-4H3;9-13H,6-8H2,1-5H3;9-12,14H,4-8H2,1-3H3.

What are the key properties of tert-butyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate;methyl 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;methyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxybutanoate;methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate?

tert-butyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate;methyl 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;methyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxybutanoate;methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate has a molecular weight of 1660.26 g/mol, XLogP of 16.27, 35 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate;methyl 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;methyl 4-(2,5-diethyloxolan-3-yl)-3-hydroxybutanoate;methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate is sourced from PubChem (CID 160828018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).