(4,4-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(4,4-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) prop-2-enoate;(5-methyl-2-oxooxolan-3-yl) prop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate

C138H176O70 — CID 158076392

IUPAC(4,4-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(4,4-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) prop-2-enoate;(5-methyl-2-oxooxolan-3-yl) prop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate
SMILESC=C(C)C(=O)OC1C(=O)OCC1(C)C.C=C(C)C(=O)OC1C(=O)OCC1C.C=C(C)C(=O)OC1CC(C)(C)OC1=O.C=C(C)C(=O)OC1CC(C)OC1=O.C=C(C)C(=O)OC1CCOC1=O.C=C(C)C(=O)OCC(=O)OC1C(=O)OCC1C.C=C(C)C(=O)OCC(=O)OC1CC(C)OC1=O.C=C(C)C(=O)OCC(=O)OC1CCOC1=O.C=CC(=O)OC1C(=O)OCC1(C)C.C=CC(=O)OC1C(=O)OCC1C.C=CC(=O)OC1CC(C)(C)OC1=O.C=CC(=O)OC1CC(C)OC1=O.C=CC(=O)OC1CCOC1=O.C=CC(=O)OCC(=O)OC1CC(C)OC1=O.C=CC(=O)OCC(=O)OC1CCOC1=O
InChIInChI=1S/2C11H14O6.2C10H12O6.2C10H14O4.C9H10O6.4C9H12O4.3C8H10O4.C7H8O4/c1-6(2)10(13)16-5-8(12)17-9-7(3)4-15-11(9)14;1-6(2)10(13)15-5-9(12)17-8-4-7(3)16-11(8)14;1-6(2)9(12)15-5-8(11)16-7-3-4-14-10(7)13;1-3-8(11)14-5-9(12)16-7-4-6(2)15-10(7)13;1-6(2)8(11)14-7-9(12)13-5-10(7,3)4;1-6(2)8(11)13-7-5-10(3,4)14-9(7)12;1-2-7(10)14-5-8(11)15-6-3-4-13-9(6)12;1-5(2)8(10)13-7-6(3)4-12-9(7)11;1-5(2)8(10)13-7-4-6(3)12-9(7)11;1-4-7(10)12-6-5-9(2,3)13-8(6)11;1-4-6(10)13-7-8(11)12-5-9(7,2)3;1-5(2)7(9)12-6-3-4-11-8(6)10;1-3-7(9)12-6-4-5(2)11-8(6)10;1-3-6(9)12-7-5(2)4-11-8(7)10;1-2-6(8)11-5-3-4-10-7(5)9/h7,9H,1,4-5H2,2-3H3;7-8H,1,4-5H2,2-3H3;7H,1,3-5H2,2H3;3,6-7H,1,4-5H2,2H3;2*7H,1,5H2,2-4H3;2,6H,1,3-5H2;2*6-7H,1,4H2,2-3H3;4,6H,1,5H2,2-3H3;4,7H,1,5H2,2-3H3;6H,1,3-4H2,2H3;3,5-6H,1,4H2,2H3;3,5,7H,1,4H2,2H3;2,5H,1,3-4H2
InChIKeyFMKQJGSTCVUHAE-UHFFFAOYSA-N
MW2954.86 g/mol
LogP6.42
Rot. Bonds40

About (4,4-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(4,4-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) prop-2-enoate;(5-methyl-2-oxooxolan-3-yl) prop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate

(4,4-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(4,4-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) prop-2-enoate;(5-methyl-2-oxooxolan-3-yl) prop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate (PubChem CID 158076392) has the molecular formula C138H176O70 and a molecular weight of 2954.86 g/mol. Its IUPAC name is (4,4-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(4,4-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) prop-2-enoate;(5-methyl-2-oxooxolan-3-yl) prop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate.

Molecular Properties

Compound Name(4,4-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(4,4-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) prop-2-enoate;(5-methyl-2-oxooxolan-3-yl) prop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate
PubChem CID158076392
Molecular FormulaC138H176O70
Molecular Weight2954.86 g/mol
Exact Mass2953.02
IUPAC Name(4,4-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(4,4-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) prop-2-enoate;(5-methyl-2-oxooxolan-3-yl) prop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate
SMILESC=C(C)C(=O)OC1C(=O)OCC1(C)C.C=C(C)C(=O)OC1C(=O)OCC1C.C=C(C)C(=O)OC1CC(C)(C)OC1=O.C=C(C)C(=O)OC1CC(C)OC1=O.C=C(C)C(=O)OC1CCOC1=O.C=C(C)C(=O)OCC(=O)OC1C(=O)OCC1C.C=C(C)C(=O)OCC(=O)OC1CC(C)OC1=O.C=C(C)C(=O)OCC(=O)OC1CCOC1=O.C=CC(=O)OC1C(=O)OCC1(C)C.C=CC(=O)OC1C(=O)OCC1C.C=CC(=O)OC1CC(C)(C)OC1=O.C=CC(=O)OC1CC(C)OC1=O.C=CC(=O)OC1CCOC1=O.C=CC(=O)OCC(=O)OC1CC(C)OC1=O.C=CC(=O)OCC(=O)OC1CCOC1=O
InChIInChI=1S/2C11H14O6.2C10H12O6.2C10H14O4.C9H10O6.4C9H12O4.3C8H10O4.C7H8O4/c1-6(2)10(13)16-5-8(12)17-9-7(3)4-15-11(9)14;1-6(2)10(13)15-5-9(12)17-8-4-7(3)16-11(8)14;1-6(2)9(12)15-5-8(11)16-7-3-4-14-10(7)13;1-3-8(11)14-5-9(12)16-7-4-6(2)15-10(7)13;1-6(2)8(11)14-7-9(12)13-5-10(7,3)4;1-6(2)8(11)13-7-5-10(3,4)14-9(7)12;1-2-7(10)14-5-8(11)15-6-3-4-13-9(6)12;1-5(2)8(10)13-7-6(3)4-12-9(7)11;1-5(2)8(10)13-7-4-6(3)12-9(7)11;1-4-7(10)12-6-5-9(2,3)13-8(6)11;1-4-6(10)13-7-8(11)12-5-9(7,2)3;1-5(2)7(9)12-6-3-4-11-8(6)10;1-3-7(9)12-6-4-5(2)11-8(6)10;1-3-6(9)12-7-5(2)4-11-8(7)10;1-2-6(8)11-5-3-4-10-7(5)9/h7,9H,1,4-5H2,2-3H3;7-8H,1,4-5H2,2-3H3;7H,1,3-5H2,2H3;3,6-7H,1,4-5H2,2H3;2*7H,1,5H2,2-4H3;2,6H,1,3-5H2;2*6-7H,1,4H2,2-3H3;4,6H,1,5H2,2-3H3;4,7H,1,5H2,2-3H3;6H,1,3-4H2,2H3;3,5-6H,1,4H2,2H3;3,5,7H,1,4H2,2H3;2,5H,1,3-4H2
InChIKeyFMKQJGSTCVUHAE-UHFFFAOYSA-N
XLogP6.42
TPSA920.50 Ų
H-Bond Donors
H-Bond Acceptors70
Rotatable Bonds40
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002954.86
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1070

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4,4-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(4,4-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) prop-2-enoate;(5-methyl-2-oxooxolan-3-yl) prop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(4,4-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) prop-2-enoate;(5-methyl-2-oxooxolan-3-yl) prop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate?
The IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(4,4-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) prop-2-enoate;(5-methyl-2-oxooxolan-3-yl) prop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate (CID 158076392) is (4,4-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(4,4-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) prop-2-enoate;(5-methyl-2-oxooxolan-3-yl) prop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate.
What is the SMILES notation for (4,4-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(4,4-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) prop-2-enoate;(5-methyl-2-oxooxolan-3-yl) prop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate?
The canonical SMILES for (4,4-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(4,4-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) prop-2-enoate;(5-methyl-2-oxooxolan-3-yl) prop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate is C=C(C)C(=O)OC1C(=O)OCC1(C)C.C=C(C)C(=O)OC1C(=O)OCC1C.C=C(C)C(=O)OC1CC(C)(C)OC1=O.C=C(C)C(=O)OC1CC(C)OC1=O.C=C(C)C(=O)OC1CCOC1=O.C=C(C)C(=O)OCC(=O)OC1C(=O)OCC1C.C=C(C)C(=O)OCC(=O)OC1CC(C)OC1=O.C=C(C)C(=O)OCC(=O)OC1CCOC1=O.C=CC(=O)OC1C(=O)OCC1(C)C.C=CC(=O)OC1C(=O)OCC1C.C=CC(=O)OC1CC(C)(C)OC1=O.C=CC(=O)OC1CC(C)OC1=O.C=CC(=O)OC1CCOC1=O.C=CC(=O)OCC(=O)OC1CC(C)OC1=O.C=CC(=O)OCC(=O)OC1CCOC1=O.
What is the InChIKey of (4,4-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(4,4-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) prop-2-enoate;(5-methyl-2-oxooxolan-3-yl) prop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate?
The InChIKey is FMKQJGSTCVUHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H14O6.2C10H12O6.2C10H14O4.C9H10O6.4C9H12O4.3C8H10O4.C7H8O4/c1-6(2)10(13)16-5-8(12)17-9-7(3)4-15-11(9)14;1-6(2)10(13)15-5-9(12)17-8-4-7(3)16-11(8)14;1-6(2)9(12)15-5-8(11)16-7-3-4-14-10(7)13;1-3-8(11)14-5-9(12)16-7-4-6(2)15-10(7)13;1-6(2)8(11)14-7-9(12)13-5-10(7,3)4;1-6(2)8(11)13-7-5-10(3,4)14-9(7)12;1-2-7(10)14-5-8(11)15-6-3-4-13-9(6)12;1-5(2)8(10)13-7-6(3)4-12-9(7)11;1-5(2)8(10)13-7-4-6(3)12-9(7)11;1-4-7(10)12-6-5-9(2,3)13-8(6)11;1-4-6(10)13-7-8(11)12-5-9(7,2)3;1-5(2)7(9)12-6-3-4-11-8(6)10;1-3-7(9)12-6-4-5(2)11-8(6)10;1-3-6(9)12-7-5(2)4-11-8(7)10;1-2-6(8)11-5-3-4-10-7(5)9/h7,9H,1,4-5H2,2-3H3;7-8H,1,4-5H2,2-3H3;7H,1,3-5H2,2H3;3,6-7H,1,4-5H2,2H3;2*7H,1,5H2,2-4H3;2,6H,1,3-5H2;2*6-7H,1,4H2,2-3H3;4,6H,1,5H2,2-3H3;4,7H,1,5H2,2-3H3;6H,1,3-4H2,2H3;3,5-6H,1,4H2,2H3;3,5,7H,1,4H2,2H3;2,5H,1,3-4H2.
What are the key properties of (4,4-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(4,4-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) prop-2-enoate;(5-methyl-2-oxooxolan-3-yl) prop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate?
(4,4-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(4,4-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) prop-2-enoate;(5-methyl-2-oxooxolan-3-yl) prop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate has a molecular weight of 2954.86 g/mol, XLogP of 6.42, 40 rotatable bonds, 0 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(4,4-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) prop-2-enoate;(5-methyl-2-oxooxolan-3-yl) prop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate is sourced from PubChem (CID 158076392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).