3,3-dimethyloxolan-2-one;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]propan-2-yl] 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2,2,4,4-tetramethylcyclopentan-1-one;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate

C180H328O46 — CID 161482907

IUPAC3,3-dimethyloxolan-2-one;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]propan-2-yl] 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2,2,4,4-tetramethylcyclopentan-1-one;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1(C)CC(=O)C(C)(C)C1.CC1(C)CCOC1=O.CCC(C)(C)C(=O)OC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1(C)C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1(C)CC(=O)OC1(C)C.CCC(C)(C)C(=O)OC1(C)CCC2CC1(C)OC2=O.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1(C)C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2OC(=O)C3CC1(C)CC32.CCC(C)(C)C(=O)OC1CC(=O)OC1(C)COC.CCC(C)(C)C(=O)OC1CCC2CC1(C)OC2=O.CCC(C)(C)C(=O)OC1CCC2CC1OC2=O
InChIInChI=1S/C18H26O6.3C15H22O4.C15H24O4.C14H20O4.C14H22O4.C13H22O5.C13H20O4.C13H22O4.C9H16O.C6H10O2.20CH4/c1-6-17(2,3)15(20)24-18(4,5)16(21)23-12-9-7-10-11(8-9)14(19)22-13(10)12;1-5-14(2,3)13(17)19-11-10-8-6-15(11,4)7-9(8)12(16)18-10;1-5-14(2,3)13(17)19-15(4)8-6-9-10(7-8)12(16)18-11(9)15;1-5-14(2,3)13(17)18-11-8-6-9-10(7-8)15(11,4)19-12(9)16;1-6-13(2,3)12(17)19-14(4)8-7-10-9-15(14,5)18-11(10)16;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-5-13(2,3)12(16)17-10-7-6-9-8-14(10,4)18-11(9)15;1-6-12(2,3)11(15)17-9-7-10(14)18-13(9,4)8-16-5;1-4-13(2,3)12(15)17-9-6-5-8-7-10(9)16-11(8)14;1-7-11(2,3)10(15)17-13(6)8-9(14)16-12(13,4)5;1-8(2)5-7(10)9(3,4)6-8;1-6(2)3-4-8-5(6)7;;;;;;;;;;;;;;;;;;;;/h9-13H,6-8H2,1-5H3;3*8-11H,5-7H2,1-4H3;10H,6-9H2,1-5H3;7-11H,4-6H2,1-3H3;9-10H,5-8H2,1-4H3;9H,6-8H2,1-5H3;8-10H,4-7H2,1-3H3;7-8H2,1-6H3;5-6H2,1-4H3;3-4H2,1-2H3;20*1H4
InChIKeyWEPGSMUZKWWAOR-UHFFFAOYSA-N
MW3228.56 g/mol
LogP38.64
Rot. Bonds34

About 3,3-dimethyloxolan-2-one;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]propan-2-yl] 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2,2,4,4-tetramethylcyclopentan-1-one;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate

3,3-dimethyloxolan-2-one;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]propan-2-yl] 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2,2,4,4-tetramethylcyclopentan-1-one;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate (PubChem CID 161482907) has the molecular formula C180H328O46 and a molecular weight of 3228.56 g/mol. Its IUPAC name is 3,3-dimethyloxolan-2-one;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]propan-2-yl] 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2,2,4,4-tetramethylcyclopentan-1-one;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name3,3-dimethyloxolan-2-one;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]propan-2-yl] 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2,2,4,4-tetramethylcyclopentan-1-one;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate
PubChem CID161482907
Molecular FormulaC180H328O46
Molecular Weight3228.56 g/mol
Exact Mass3226.33
IUPAC Name3,3-dimethyloxolan-2-one;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]propan-2-yl] 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2,2,4,4-tetramethylcyclopentan-1-one;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1(C)CC(=O)C(C)(C)C1.CC1(C)CCOC1=O.CCC(C)(C)C(=O)OC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1(C)C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1(C)CC(=O)OC1(C)C.CCC(C)(C)C(=O)OC1(C)CCC2CC1(C)OC2=O.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1(C)C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2OC(=O)C3CC1(C)CC32.CCC(C)(C)C(=O)OC1CC(=O)OC1(C)COC.CCC(C)(C)C(=O)OC1CCC2CC1(C)OC2=O.CCC(C)(C)C(=O)OC1CCC2CC1OC2=O
InChIInChI=1S/C18H26O6.3C15H22O4.C15H24O4.C14H20O4.C14H22O4.C13H22O5.C13H20O4.C13H22O4.C9H16O.C6H10O2.20CH4/c1-6-17(2,3)15(20)24-18(4,5)16(21)23-12-9-7-10-11(8-9)14(19)22-13(10)12;1-5-14(2,3)13(17)19-11-10-8-6-15(11,4)7-9(8)12(16)18-10;1-5-14(2,3)13(17)19-15(4)8-6-9-10(7-8)12(16)18-11(9)15;1-5-14(2,3)13(17)18-11-8-6-9-10(7-8)15(11,4)19-12(9)16;1-6-13(2,3)12(17)19-14(4)8-7-10-9-15(14,5)18-11(10)16;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-5-13(2,3)12(16)17-10-7-6-9-8-14(10,4)18-11(9)15;1-6-12(2,3)11(15)17-9-7-10(14)18-13(9,4)8-16-5;1-4-13(2,3)12(15)17-9-6-5-8-7-10(9)16-11(8)14;1-7-11(2,3)10(15)17-13(6)8-9(14)16-12(13,4)5;1-8(2)5-7(10)9(3,4)6-8;1-6(2)3-4-8-5(6)7;;;;;;;;;;;;;;;;;;;;/h9-13H,6-8H2,1-5H3;3*8-11H,5-7H2,1-4H3;10H,6-9H2,1-5H3;7-11H,4-6H2,1-3H3;9-10H,5-8H2,1-4H3;9H,6-8H2,1-5H3;8-10H,4-7H2,1-3H3;7-8H2,1-6H3;5-6H2,1-4H3;3-4H2,1-2H3;20*1H4
InChIKeyWEPGSMUZKWWAOR-UHFFFAOYSA-N
XLogP38.64
TPSA604.90 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds34
Heavy Atoms226
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003228.56
LogP ≤ 538.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze 3,3-dimethyloxolan-2-one;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]propan-2-yl] 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2,2,4,4-tetramethylcyclopentan-1-one;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyloxolan-2-one;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]propan-2-yl] 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2,2,4,4-tetramethylcyclopentan-1-one;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate?
The IUPAC name of 3,3-dimethyloxolan-2-one;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]propan-2-yl] 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2,2,4,4-tetramethylcyclopentan-1-one;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate (CID 161482907) is 3,3-dimethyloxolan-2-one;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]propan-2-yl] 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2,2,4,4-tetramethylcyclopentan-1-one;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate.
What is the SMILES notation for 3,3-dimethyloxolan-2-one;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]propan-2-yl] 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2,2,4,4-tetramethylcyclopentan-1-one;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate?
The canonical SMILES for 3,3-dimethyloxolan-2-one;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]propan-2-yl] 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2,2,4,4-tetramethylcyclopentan-1-one;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1(C)CC(=O)C(C)(C)C1.CC1(C)CCOC1=O.CCC(C)(C)C(=O)OC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1(C)C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1(C)CC(=O)OC1(C)C.CCC(C)(C)C(=O)OC1(C)CCC2CC1(C)OC2=O.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1(C)C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2OC(=O)C3CC1(C)CC32.CCC(C)(C)C(=O)OC1CC(=O)OC1(C)COC.CCC(C)(C)C(=O)OC1CCC2CC1(C)OC2=O.CCC(C)(C)C(=O)OC1CCC2CC1OC2=O.
What is the InChIKey of 3,3-dimethyloxolan-2-one;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]propan-2-yl] 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2,2,4,4-tetramethylcyclopentan-1-one;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate?
The InChIKey is WEPGSMUZKWWAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O6.3C15H22O4.C15H24O4.C14H20O4.C14H22O4.C13H22O5.C13H20O4.C13H22O4.C9H16O.C6H10O2.20CH4/c1-6-17(2,3)15(20)24-18(4,5)16(21)23-12-9-7-10-11(8-9)14(19)22-13(10)12;1-5-14(2,3)13(17)19-11-10-8-6-15(11,4)7-9(8)12(16)18-10;1-5-14(2,3)13(17)19-15(4)8-6-9-10(7-8)12(16)18-11(9)15;1-5-14(2,3)13(17)18-11-8-6-9-10(7-8)15(11,4)19-12(9)16;1-6-13(2,3)12(17)19-14(4)8-7-10-9-15(14,5)18-11(10)16;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-5-13(2,3)12(16)17-10-7-6-9-8-14(10,4)18-11(9)15;1-6-12(2,3)11(15)17-9-7-10(14)18-13(9,4)8-16-5;1-4-13(2,3)12(15)17-9-6-5-8-7-10(9)16-11(8)14;1-7-11(2,3)10(15)17-13(6)8-9(14)16-12(13,4)5;1-8(2)5-7(10)9(3,4)6-8;1-6(2)3-4-8-5(6)7;;;;;;;;;;;;;;;;;;;;/h9-13H,6-8H2,1-5H3;3*8-11H,5-7H2,1-4H3;10H,6-9H2,1-5H3;7-11H,4-6H2,1-3H3;9-10H,5-8H2,1-4H3;9H,6-8H2,1-5H3;8-10H,4-7H2,1-3H3;7-8H2,1-6H3;5-6H2,1-4H3;3-4H2,1-2H3;20*1H4.
What are the key properties of 3,3-dimethyloxolan-2-one;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]propan-2-yl] 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2,2,4,4-tetramethylcyclopentan-1-one;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate?
3,3-dimethyloxolan-2-one;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]propan-2-yl] 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2,2,4,4-tetramethylcyclopentan-1-one;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate has a molecular weight of 3228.56 g/mol, XLogP of 38.64, 34 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyloxolan-2-one;(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;methane;[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-methyl-1-oxo-1-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]propan-2-yl] 2,2-dimethylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2,2,4,4-tetramethylcyclopentan-1-one;(2,2,3-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 161482907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).