butan-2-yl 3,4-dihydroxybutanoate;butan-2-yl 2-(oxiran-2-yl)acetate;3-(butan-2-yloxymethyl)heptane;2-(butan-2-yloxymethyl)oxirane;3-butan-2-yloxypropane-1,2-diol;2,3-dihydroxypropyl 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2-methylbutanoate;2-methylbutan-2-yl 3,4-dihydroxybutanoate;2-methylbutan-2-yl 3-ethylhexanoate;2-methylbutan-2-yl 2-(oxiran-2-yl)acetate;3-(2-methylbutan-2-yloxymethyl)heptane;2-(2-methylbutan-2-yloxymethyl)oxirane;3-(2-methylbutan-2-yloxy)propane-1,2-diol;oxiran-2-ylmethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2-methylbutanoate

C136H272O42 — CID 158600482

About butan-2-yl 3,4-dihydroxybutanoate;butan-2-yl 2-(oxiran-2-yl)acetate;3-(butan-2-yloxymethyl)heptane;2-(butan-2-yloxymethyl)oxirane;3-butan-2-yloxypropane-1,2-diol;2,3-dihydroxypropyl 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2-methylbutanoate;2-methylbutan-2-yl 3,4-dihydroxybutanoate;2-methylbutan-2-yl 3-ethylhexanoate;2-methylbutan-2-yl 2-(oxiran-2-yl)acetate;3-(2-methylbutan-2-yloxymethyl)heptane;2-(2-methylbutan-2-yloxymethyl)oxirane;3-(2-methylbutan-2-yloxy)propane-1,2-diol;oxiran-2-ylmethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2-methylbutanoate

butan-2-yl 3,4-dihydroxybutanoate;butan-2-yl 2-(oxiran-2-yl)acetate;3-(butan-2-yloxymethyl)heptane;2-(butan-2-yloxymethyl)oxirane;3-butan-2-yloxypropane-1,2-diol;2,3-dihydroxypropyl 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2-methylbutanoate;2-methylbutan-2-yl 3,4-dihydroxybutanoate;2-methylbutan-2-yl 3-ethylhexanoate;2-methylbutan-2-yl 2-(oxiran-2-yl)acetate;3-(2-methylbutan-2-yloxymethyl)heptane;2-(2-methylbutan-2-yloxymethyl)oxirane;3-(2-methylbutan-2-yloxy)propane-1,2-diol;oxiran-2-ylmethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2-methylbutanoate (PubChem CID 158600482) has the molecular formula C136H272O42 and a molecular weight of 2579.63 g/mol. Its IUPAC name is butan-2-yl 3,4-dihydroxybutanoate;butan-2-yl 2-(oxiran-2-yl)acetate;3-(butan-2-yloxymethyl)heptane;2-(butan-2-yloxymethyl)oxirane;3-butan-2-yloxypropane-1,2-diol;2,3-dihydroxypropyl 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2-methylbutanoate;2-methylbutan-2-yl 3,4-dihydroxybutanoate;2-methylbutan-2-yl 3-ethylhexanoate;2-methylbutan-2-yl 2-(oxiran-2-yl)acetate;3-(2-methylbutan-2-yloxymethyl)heptane;2-(2-methylbutan-2-yloxymethyl)oxirane;3-(2-methylbutan-2-yloxy)propane-1,2-diol;oxiran-2-ylmethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2-methylbutanoate.

Molecular Properties

• Compound Name: butan-2-yl 3,4-dihydroxybutanoate;butan-2-yl 2-(oxiran-2-yl)acetate;3-(butan-2-yloxymethyl)heptane;2-(butan-2-yloxymethyl)oxirane;3-butan-2-yloxypropane-1,2-diol;2,3-dihydroxypropyl 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2-methylbutanoate;2-methylbutan-2-yl 3,4-dihydroxybutanoate;2-methylbutan-2-yl 3-ethylhexanoate;2-methylbutan-2-yl 2-(oxiran-2-yl)acetate;3-(2-methylbutan-2-yloxymethyl)heptane;2-(2-methylbutan-2-yloxymethyl)oxirane;3-(2-methylbutan-2-yloxy)propane-1,2-diol;oxiran-2-ylmethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2-methylbutanoate
• PubChem CID: 158600482
• Molecular Formula: C136H272O42
• Molecular Weight: 2579.63 g/mol
• Exact Mass: 2577.91
• IUPAC Name: butan-2-yl 3,4-dihydroxybutanoate;butan-2-yl 2-(oxiran-2-yl)acetate;3-(butan-2-yloxymethyl)heptane;2-(butan-2-yloxymethyl)oxirane;3-butan-2-yloxypropane-1,2-diol;2,3-dihydroxypropyl 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2-methylbutanoate;2-methylbutan-2-yl 3,4-dihydroxybutanoate;2-methylbutan-2-yl 3-ethylhexanoate;2-methylbutan-2-yl 2-(oxiran-2-yl)acetate;3-(2-methylbutan-2-yloxymethyl)heptane;2-(2-methylbutan-2-yloxymethyl)oxirane;3-(2-methylbutan-2-yloxy)propane-1,2-diol;oxiran-2-ylmethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2-methylbutanoate
• SMILES: CCC(C)(C)C(=O)OCC(O)CO.CCC(C)(C)C(=O)OCC1CO1.CCC(C)(C)OC(=O)CC(O)CO.CCC(C)(C)OC(=O)CC1CO1.CCC(C)(C)OCC(O)CO.CCC(C)(C)OCC1CO1.CCC(C)C(=O)OCC(O)CO.CCC(C)C(=O)OCC1CO1.CCC(C)OC(=O)CC(O)CO.CCC(C)OC(=O)CC1CO1.CCC(C)OCC(O)CO.CCC(C)OCC1CO1.CCCC(CC)CC(=O)OC(C)(C)CC.CCCCC(CC)COC(C)(C)CC.CCCCC(CC)COC(C)CC
• InChI: InChI=1S/C13H26O2.C13H28O.C12H26O.2C9H18O4.2C9H16O3.2C8H16O4.2C8H14O3.C8H18O3.C8H16O2.C7H16O3.C7H14O2/c1-6-9-11(7-2)10-12(14)15-13(4,5)8-3;1-6-9-10-12(7-2)11-14-13(4,5)8-3;1-5-8-9-12(7-3)10-13-11(4)6-2;1-4-9(2,3)8(12)13-6-7(11)5-10;1-4-9(2,3)13-8(12)5-7(11)6-10;1-4-9(2,3)8(10)12-6-7-5-11-7;1-4-9(2,3)12-8(10)5-7-6-11-7;1-3-6(2)8(11)12-5-7(10)4-9;1-3-6(2)12-8(11)4-7(10)5-9;1-3-6(2)8(9)11-5-7-4-10-7;1-3-6(2)11-8(9)4-7-5-10-7;1-4-8(2,3)11-6-7(10)5-9;1-4-8(2,3)10-6-7-5-9-7;1-3-6(2)10-5-7(9)4-8;1-3-6(2)8-4-7-5-9-7/h11H,6-10H2,1-5H3;12H,6-11H2,1-5H3;11-12H,5-10H2,1-4H3;2*7,10-11H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;2*6-7,9-10H,3-5H2,1-2H3;2*6-7H,3-5H2,1-2H3;7,9-10H,4-6H2,1-3H3;7H,4-6H2,1-3H3;6-9H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3
• InChIKey: HVOMLPUFWYLQLJ-UHFFFAOYSA-N
• XLogP: 21.59
• TPSA: 610.02 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 77
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2579.63
LogP ≤ 5	21.59
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 3,4-dihydroxybutanoate;butan-2-yl 2-(oxiran-2-yl)acetate;3-(butan-2-yloxymethyl)heptane;2-(butan-2-yloxymethyl)oxirane;3-butan-2-yloxypropane-1,2-diol;2,3-dihydroxypropyl 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2-methylbutanoate;2-methylbutan-2-yl 3,4-dihydroxybutanoate;2-methylbutan-2-yl 3-ethylhexanoate;2-methylbutan-2-yl 2-(oxiran-2-yl)acetate;3-(2-methylbutan-2-yloxymethyl)heptane;2-(2-methylbutan-2-yloxymethyl)oxirane;3-(2-methylbutan-2-yloxy)propane-1,2-diol;oxiran-2-ylmethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2-methylbutanoate?

The IUPAC name of butan-2-yl 3,4-dihydroxybutanoate;butan-2-yl 2-(oxiran-2-yl)acetate;3-(butan-2-yloxymethyl)heptane;2-(butan-2-yloxymethyl)oxirane;3-butan-2-yloxypropane-1,2-diol;2,3-dihydroxypropyl 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2-methylbutanoate;2-methylbutan-2-yl 3,4-dihydroxybutanoate;2-methylbutan-2-yl 3-ethylhexanoate;2-methylbutan-2-yl 2-(oxiran-2-yl)acetate;3-(2-methylbutan-2-yloxymethyl)heptane;2-(2-methylbutan-2-yloxymethyl)oxirane;3-(2-methylbutan-2-yloxy)propane-1,2-diol;oxiran-2-ylmethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2-methylbutanoate (CID 158600482) is butan-2-yl 3,4-dihydroxybutanoate;butan-2-yl 2-(oxiran-2-yl)acetate;3-(butan-2-yloxymethyl)heptane;2-(butan-2-yloxymethyl)oxirane;3-butan-2-yloxypropane-1,2-diol;2,3-dihydroxypropyl 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2-methylbutanoate;2-methylbutan-2-yl 3,4-dihydroxybutanoate;2-methylbutan-2-yl 3-ethylhexanoate;2-methylbutan-2-yl 2-(oxiran-2-yl)acetate;3-(2-methylbutan-2-yloxymethyl)heptane;2-(2-methylbutan-2-yloxymethyl)oxirane;3-(2-methylbutan-2-yloxy)propane-1,2-diol;oxiran-2-ylmethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2-methylbutanoate.

What is the SMILES notation for butan-2-yl 3,4-dihydroxybutanoate;butan-2-yl 2-(oxiran-2-yl)acetate;3-(butan-2-yloxymethyl)heptane;2-(butan-2-yloxymethyl)oxirane;3-butan-2-yloxypropane-1,2-diol;2,3-dihydroxypropyl 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2-methylbutanoate;2-methylbutan-2-yl 3,4-dihydroxybutanoate;2-methylbutan-2-yl 3-ethylhexanoate;2-methylbutan-2-yl 2-(oxiran-2-yl)acetate;3-(2-methylbutan-2-yloxymethyl)heptane;2-(2-methylbutan-2-yloxymethyl)oxirane;3-(2-methylbutan-2-yloxy)propane-1,2-diol;oxiran-2-ylmethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2-methylbutanoate?

The canonical SMILES for butan-2-yl 3,4-dihydroxybutanoate;butan-2-yl 2-(oxiran-2-yl)acetate;3-(butan-2-yloxymethyl)heptane;2-(butan-2-yloxymethyl)oxirane;3-butan-2-yloxypropane-1,2-diol;2,3-dihydroxypropyl 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2-methylbutanoate;2-methylbutan-2-yl 3,4-dihydroxybutanoate;2-methylbutan-2-yl 3-ethylhexanoate;2-methylbutan-2-yl 2-(oxiran-2-yl)acetate;3-(2-methylbutan-2-yloxymethyl)heptane;2-(2-methylbutan-2-yloxymethyl)oxirane;3-(2-methylbutan-2-yloxy)propane-1,2-diol;oxiran-2-ylmethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2-methylbutanoate is CCC(C)(C)C(=O)OCC(O)CO.CCC(C)(C)C(=O)OCC1CO1.CCC(C)(C)OC(=O)CC(O)CO.CCC(C)(C)OC(=O)CC1CO1.CCC(C)(C)OCC(O)CO.CCC(C)(C)OCC1CO1.CCC(C)C(=O)OCC(O)CO.CCC(C)C(=O)OCC1CO1.CCC(C)OC(=O)CC(O)CO.CCC(C)OC(=O)CC1CO1.CCC(C)OCC(O)CO.CCC(C)OCC1CO1.CCCC(CC)CC(=O)OC(C)(C)CC.CCCCC(CC)COC(C)(C)CC.CCCCC(CC)COC(C)CC.

What is the InChIKey of butan-2-yl 3,4-dihydroxybutanoate;butan-2-yl 2-(oxiran-2-yl)acetate;3-(butan-2-yloxymethyl)heptane;2-(butan-2-yloxymethyl)oxirane;3-butan-2-yloxypropane-1,2-diol;2,3-dihydroxypropyl 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2-methylbutanoate;2-methylbutan-2-yl 3,4-dihydroxybutanoate;2-methylbutan-2-yl 3-ethylhexanoate;2-methylbutan-2-yl 2-(oxiran-2-yl)acetate;3-(2-methylbutan-2-yloxymethyl)heptane;2-(2-methylbutan-2-yloxymethyl)oxirane;3-(2-methylbutan-2-yloxy)propane-1,2-diol;oxiran-2-ylmethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2-methylbutanoate?

The InChIKey is HVOMLPUFWYLQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2.C13H28O.C12H26O.2C9H18O4.2C9H16O3.2C8H16O4.2C8H14O3.C8H18O3.C8H16O2.C7H16O3.C7H14O2/c1-6-9-11(7-2)10-12(14)15-13(4,5)8-3;1-6-9-10-12(7-2)11-14-13(4,5)8-3;1-5-8-9-12(7-3)10-13-11(4)6-2;1-4-9(2,3)8(12)13-6-7(11)5-10;1-4-9(2,3)13-8(12)5-7(11)6-10;1-4-9(2,3)8(10)12-6-7-5-11-7;1-4-9(2,3)12-8(10)5-7-6-11-7;1-3-6(2)8(11)12-5-7(10)4-9;1-3-6(2)12-8(11)4-7(10)5-9;1-3-6(2)8(9)11-5-7-4-10-7;1-3-6(2)11-8(9)4-7-5-10-7;1-4-8(2,3)11-6-7(10)5-9;1-4-8(2,3)10-6-7-5-9-7;1-3-6(2)10-5-7(9)4-8;1-3-6(2)8-4-7-5-9-7/h11H,6-10H2,1-5H3;12H,6-11H2,1-5H3;11-12H,5-10H2,1-4H3;2*7,10-11H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;2*6-7,9-10H,3-5H2,1-2H3;2*6-7H,3-5H2,1-2H3;7,9-10H,4-6H2,1-3H3;7H,4-6H2,1-3H3;6-9H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3.

What are the key properties of butan-2-yl 3,4-dihydroxybutanoate;butan-2-yl 2-(oxiran-2-yl)acetate;3-(butan-2-yloxymethyl)heptane;2-(butan-2-yloxymethyl)oxirane;3-butan-2-yloxypropane-1,2-diol;2,3-dihydroxypropyl 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2-methylbutanoate;2-methylbutan-2-yl 3,4-dihydroxybutanoate;2-methylbutan-2-yl 3-ethylhexanoate;2-methylbutan-2-yl 2-(oxiran-2-yl)acetate;3-(2-methylbutan-2-yloxymethyl)heptane;2-(2-methylbutan-2-yloxymethyl)oxirane;3-(2-methylbutan-2-yloxy)propane-1,2-diol;oxiran-2-ylmethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2-methylbutanoate?

butan-2-yl 3,4-dihydroxybutanoate;butan-2-yl 2-(oxiran-2-yl)acetate;3-(butan-2-yloxymethyl)heptane;2-(butan-2-yloxymethyl)oxirane;3-butan-2-yloxypropane-1,2-diol;2,3-dihydroxypropyl 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2-methylbutanoate;2-methylbutan-2-yl 3,4-dihydroxybutanoate;2-methylbutan-2-yl 3-ethylhexanoate;2-methylbutan-2-yl 2-(oxiran-2-yl)acetate;3-(2-methylbutan-2-yloxymethyl)heptane;2-(2-methylbutan-2-yloxymethyl)oxirane;3-(2-methylbutan-2-yloxy)propane-1,2-diol;oxiran-2-ylmethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2-methylbutanoate has a molecular weight of 2579.63 g/mol, XLogP of 21.59, 77 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for butan-2-yl 3,4-dihydroxybutanoate;butan-2-yl 2-(oxiran-2-yl)acetate;3-(butan-2-yloxymethyl)heptane;2-(butan-2-yloxymethyl)oxirane;3-butan-2-yloxypropane-1,2-diol;2,3-dihydroxypropyl 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2-methylbutanoate;2-methylbutan-2-yl 3,4-dihydroxybutanoate;2-methylbutan-2-yl 3-ethylhexanoate;2-methylbutan-2-yl 2-(oxiran-2-yl)acetate;3-(2-methylbutan-2-yloxymethyl)heptane;2-(2-methylbutan-2-yloxymethyl)oxirane;3-(2-methylbutan-2-yloxy)propane-1,2-diol;oxiran-2-ylmethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2-methylbutanoate is sourced from PubChem (CID 158600482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).