(3-ethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(9-methoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate;3-(2-oxo-1,3-dioxolan-4-yl)propyl 2,2-dimethylbutanoate;[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

C150H236O62 — CID 161364170

IUPAC(3-ethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(9-methoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate;3-(2-oxo-1,3-dioxolan-4-yl)propyl 2,2-dimethylbutanoate;[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESCCC(C)(C)C(=O)OC1(C)CCOC1=O.CCC(C)(C)C(=O)OC1(C)COC(=O)C1.CCC(C)(C)C(=O)OC1C2CC(C1OC)C1C(=O)OCC21.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OC1COC(=O)C1.CCC(C)(C)C(=O)OCC(=O)OCC1COC(=O)O1.CCC(C)(C)C(=O)OCC1(C)COC(=O)O1.CCC(C)(C)C(=O)OCC1COC(=O)O1.CCC(C)(C)C(=O)OCCCC1COC(=O)O1.CCC(C)(C)C(=O)OCCCCCC1COC(=O)O1.CCC(C)(C)C(=O)OCCOCC1COC(=O)O1.CCC1(OC(=O)C(C)(C)CC)COC(=O)C1
InChIInChI=1S/C19H24O8.C16H24O5.C14H24O5.C12H18O7.C12H20O6.C12H20O5.C12H20O4.C11H18O5.2C11H18O4.C10H16O5.C10H16O4/c1-4-19(2,3)18(23)27-14-9-7-8-12(17(22)26-13(8)14)11(9)16(21)25-10-5-6-24-15(10)20;1-5-16(2,3)15(18)21-13-8-6-9(12(13)19-4)11-10(8)7-20-14(11)17;1-4-14(2,3)12(15)17-9-7-5-6-8-11-10-18-13(16)19-11;1-4-12(2,3)10(14)17-7-9(13)16-5-8-6-18-11(15)19-8;1-4-12(2,3)10(13)16-6-5-15-7-9-8-17-11(14)18-9;1-4-12(2,3)10(13)15-7-5-6-9-8-16-11(14)17-9;1-5-11(3,4)10(14)16-12(6-2)7-9(13)15-8-12;1-5-10(2,3)8(12)14-6-11(4)7-15-9(13)16-11;1-5-10(2,3)9(13)15-11(4)6-8(12)14-7-11;1-5-10(2,3)8(12)15-11(4)6-7-14-9(11)13;1-4-10(2,3)8(11)13-5-7-6-14-9(12)15-7;1-4-10(2,3)9(12)14-7-5-8(11)13-6-7/h8-14H,4-7H2,1-3H3;8-13H,5-7H2,1-4H3;11H,4-10H2,1-3H3;8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;9H,4-8H2,1-3H3;5-8H2,1-4H3;5-7H2,1-4H3;2*5-7H2,1-4H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyVPPAJIRHINFTLS-UHFFFAOYSA-N
MW3031.48 g/mol
LogP20.77
Rot. Bonds57

About (3-ethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(9-methoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate;3-(2-oxo-1,3-dioxolan-4-yl)propyl 2,2-dimethylbutanoate;[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

(3-ethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(9-methoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate;3-(2-oxo-1,3-dioxolan-4-yl)propyl 2,2-dimethylbutanoate;[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate (PubChem CID 161364170) has the molecular formula C150H236O62 and a molecular weight of 3031.48 g/mol. Its IUPAC name is (3-ethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(9-methoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate;3-(2-oxo-1,3-dioxolan-4-yl)propyl 2,2-dimethylbutanoate;[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate.

Molecular Properties

Compound Name(3-ethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(9-methoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate;3-(2-oxo-1,3-dioxolan-4-yl)propyl 2,2-dimethylbutanoate;[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
PubChem CID161364170
Molecular FormulaC150H236O62
Molecular Weight3031.48 g/mol
Exact Mass3029.53
IUPAC Name(3-ethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(9-methoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate;3-(2-oxo-1,3-dioxolan-4-yl)propyl 2,2-dimethylbutanoate;[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESCCC(C)(C)C(=O)OC1(C)CCOC1=O.CCC(C)(C)C(=O)OC1(C)COC(=O)C1.CCC(C)(C)C(=O)OC1C2CC(C1OC)C1C(=O)OCC21.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OC1COC(=O)C1.CCC(C)(C)C(=O)OCC(=O)OCC1COC(=O)O1.CCC(C)(C)C(=O)OCC1(C)COC(=O)O1.CCC(C)(C)C(=O)OCC1COC(=O)O1.CCC(C)(C)C(=O)OCCCC1COC(=O)O1.CCC(C)(C)C(=O)OCCCCCC1COC(=O)O1.CCC(C)(C)C(=O)OCCOCC1COC(=O)O1.CCC1(OC(=O)C(C)(C)CC)COC(=O)C1
InChIInChI=1S/C19H24O8.C16H24O5.C14H24O5.C12H18O7.C12H20O6.C12H20O5.C12H20O4.C11H18O5.2C11H18O4.C10H16O5.C10H16O4/c1-4-19(2,3)18(23)27-14-9-7-8-12(17(22)26-13(8)14)11(9)16(21)25-10-5-6-24-15(10)20;1-5-16(2,3)15(18)21-13-8-6-9(12(13)19-4)11-10(8)7-20-14(11)17;1-4-14(2,3)12(15)17-9-7-5-6-8-11-10-18-13(16)19-11;1-4-12(2,3)10(14)17-7-9(13)16-5-8-6-18-11(15)19-8;1-4-12(2,3)10(13)16-6-5-15-7-9-8-17-11(14)18-9;1-4-12(2,3)10(13)15-7-5-6-9-8-16-11(14)17-9;1-5-11(3,4)10(14)16-12(6-2)7-9(13)15-8-12;1-5-10(2,3)8(12)14-6-11(4)7-15-9(13)16-11;1-5-10(2,3)9(13)15-11(4)6-8(12)14-7-11;1-5-10(2,3)8(12)15-11(4)6-7-14-9(11)13;1-4-10(2,3)8(11)13-5-7-6-14-9(12)15-7;1-4-10(2,3)9(12)14-7-5-8(11)13-6-7/h8-14H,4-7H2,1-3H3;8-13H,5-7H2,1-4H3;11H,4-10H2,1-3H3;8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;9H,4-8H2,1-3H3;5-8H2,1-4H3;5-7H2,1-4H3;2*5-7H2,1-4H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyVPPAJIRHINFTLS-UHFFFAOYSA-N
XLogP20.77
TPSA783.94 Ų
H-Bond Donors
H-Bond Acceptors62
Rotatable Bonds57
Heavy Atoms212
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003031.48
LogP ≤ 520.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1062

Computed Properties (RDKit)

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

Analyze (3-ethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(9-methoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate;3-(2-oxo-1,3-dioxolan-4-yl)propyl 2,2-dimethylbutanoate;[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(9-methoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate;3-(2-oxo-1,3-dioxolan-4-yl)propyl 2,2-dimethylbutanoate;[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The IUPAC name of (3-ethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(9-methoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate;3-(2-oxo-1,3-dioxolan-4-yl)propyl 2,2-dimethylbutanoate;[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate (CID 161364170) is (3-ethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(9-methoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate;3-(2-oxo-1,3-dioxolan-4-yl)propyl 2,2-dimethylbutanoate;[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate.
What is the SMILES notation for (3-ethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(9-methoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate;3-(2-oxo-1,3-dioxolan-4-yl)propyl 2,2-dimethylbutanoate;[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The canonical SMILES for (3-ethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(9-methoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate;3-(2-oxo-1,3-dioxolan-4-yl)propyl 2,2-dimethylbutanoate;[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate is CCC(C)(C)C(=O)OC1(C)CCOC1=O.CCC(C)(C)C(=O)OC1(C)COC(=O)C1.CCC(C)(C)C(=O)OC1C2CC(C1OC)C1C(=O)OCC21.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OC1COC(=O)C1.CCC(C)(C)C(=O)OCC(=O)OCC1COC(=O)O1.CCC(C)(C)C(=O)OCC1(C)COC(=O)O1.CCC(C)(C)C(=O)OCC1COC(=O)O1.CCC(C)(C)C(=O)OCCCC1COC(=O)O1.CCC(C)(C)C(=O)OCCCCCC1COC(=O)O1.CCC(C)(C)C(=O)OCCOCC1COC(=O)O1.CCC1(OC(=O)C(C)(C)CC)COC(=O)C1.
What is the InChIKey of (3-ethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(9-methoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate;3-(2-oxo-1,3-dioxolan-4-yl)propyl 2,2-dimethylbutanoate;[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The InChIKey is VPPAJIRHINFTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O8.C16H24O5.C14H24O5.C12H18O7.C12H20O6.C12H20O5.C12H20O4.C11H18O5.2C11H18O4.C10H16O5.C10H16O4/c1-4-19(2,3)18(23)27-14-9-7-8-12(17(22)26-13(8)14)11(9)16(21)25-10-5-6-24-15(10)20;1-5-16(2,3)15(18)21-13-8-6-9(12(13)19-4)11-10(8)7-20-14(11)17;1-4-14(2,3)12(15)17-9-7-5-6-8-11-10-18-13(16)19-11;1-4-12(2,3)10(14)17-7-9(13)16-5-8-6-18-11(15)19-8;1-4-12(2,3)10(13)16-6-5-15-7-9-8-17-11(14)18-9;1-4-12(2,3)10(13)15-7-5-6-9-8-16-11(14)17-9;1-5-11(3,4)10(14)16-12(6-2)7-9(13)15-8-12;1-5-10(2,3)8(12)14-6-11(4)7-15-9(13)16-11;1-5-10(2,3)9(13)15-11(4)6-8(12)14-7-11;1-5-10(2,3)8(12)15-11(4)6-7-14-9(11)13;1-4-10(2,3)8(11)13-5-7-6-14-9(12)15-7;1-4-10(2,3)9(12)14-7-5-8(11)13-6-7/h8-14H,4-7H2,1-3H3;8-13H,5-7H2,1-4H3;11H,4-10H2,1-3H3;8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;9H,4-8H2,1-3H3;5-8H2,1-4H3;5-7H2,1-4H3;2*5-7H2,1-4H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3.
What are the key properties of (3-ethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(9-methoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate;3-(2-oxo-1,3-dioxolan-4-yl)propyl 2,2-dimethylbutanoate;[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
(3-ethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(9-methoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate;3-(2-oxo-1,3-dioxolan-4-yl)propyl 2,2-dimethylbutanoate;[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate has a molecular weight of 3031.48 g/mol, XLogP of 20.77, 57 rotatable bonds, 0 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(9-methoxy-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(4-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;5-(2-oxo-1,3-dioxolan-4-yl)pentyl 2,2-dimethylbutanoate;3-(2-oxo-1,3-dioxolan-4-yl)propyl 2,2-dimethylbutanoate;[2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethyl] 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate is sourced from PubChem (CID 161364170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).