carbon dioxide;(Z)-2,3-dimethyl-4-[2-(2-methylprop-2-enoylamino)ethylperoxy]but-2-enoic acid;2,2-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid;2-[[1-[(2-formyloxycyclohexyl)methylperoxy]-2-(2-methylprop-2-enoyloxy)ethyl]peroxymethyl]cyclohexane-1-carboxylic acid;2-[(3-formyloxy-2-pyridinyl)methylperoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxybicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]benzoic acid;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclopropane-1-carboxylic acid

C142H198N2O66 — CID 159245132

IUPACcarbon dioxide;(Z)-2,3-dimethyl-4-[2-(2-methylprop-2-enoylamino)ethylperoxy]but-2-enoic acid;2,2-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid;2-[[1-[(2-formyloxycyclohexyl)methylperoxy]-2-(2-methylprop-2-enoyloxy)ethyl]peroxymethyl]cyclohexane-1-carboxylic acid;2-[(3-formyloxy-2-pyridinyl)methylperoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxybicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]benzoic acid;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclopropane-1-carboxylic acid
SMILESC=C(C)C(=O)NCCOOC/C(C)=C(/C)C(=O)O.C=C(C)C(=O)OCC(OOCC1CCCCC1OC=O)OOCC1CCCCC1C(=O)O.C=C(C)C(=O)OCCOC(=O)C1C2C=CC(C2)C1OC=O.C=C(C)C(=O)OCCOC(=O)C1C2CCC(O2)C1OC=O.C=C(C)C(=O)OCCOC(=O)CC(C)(C)C(=O)O.C=C(C)C(=O)OCCOOCC1CC1C(=O)O.C=C(C)C(=O)OCCOOCC1CCC(C(=O)O)CC1.C=C(C)C(=O)OCCOOCC1CCCC(C(=O)O)C1.C=C(C)C(=O)OCCOOCc1cccc(C(=O)O)c1.C=C(C)C(=O)OCCOOCc1ncccc1OC=O.O=C=O
InChIInChI=1S/C22H34O10.C15H18O6.C14H18O7.2C14H22O6.C14H16O6.C13H15NO6.C12H19NO5.C12H18O6.C11H16O6.CO2/c1-15(2)22(26)27-13-20(31-29-11-16-7-3-5-9-18(16)21(24)25)32-30-12-17-8-4-6-10-19(17)28-14-23;1-9(2)14(17)19-5-6-20-15(18)12-10-3-4-11(7-10)13(12)21-8-16;1-8(2)13(16)18-5-6-19-14(17)11-9-3-4-10(21-9)12(11)20-7-15;1-10(2)14(17)18-7-8-19-20-9-11-3-5-12(6-4-11)13(15)16;2*1-10(2)14(17)18-6-7-19-20-9-11-4-3-5-12(8-11)13(15)16;1-10(2)13(16)17-6-7-19-20-8-11-12(18-9-15)4-3-5-14-11;1-8(2)11(14)13-5-6-17-18-7-9(3)10(4)12(15)16;1-8(2)10(14)18-6-5-17-9(13)7-12(3,4)11(15)16;1-7(2)11(14)15-3-4-16-17-6-8-5-9(8)10(12)13;2-1-3/h14,16-20H,1,3-13H2,2H3,(H,24,25);3-4,8,10-13H,1,5-7H2,2H3;7,9-12H,1,3-6H2,2H3;2*11-12H,1,3-9H2,2H3,(H,15,16);3-5,8H,1,6-7,9H2,2H3,(H,15,16);3-5,9H,1,6-8H2,2H3;1,5-7H2,2-4H3,(H,13,14)(H,15,16);1,5-7H2,2-4H3,(H,15,16);8-9H,1,3-6H2,2H3,(H,12,13);/b;;;;;;;10-9-;;;
InChIKeyKUOVYOCSYNBGBM-VDBMFSHOSA-N
MW2989.09 g/mol
LogP13.75
Rot. Bonds84

About carbon dioxide;(Z)-2,3-dimethyl-4-[2-(2-methylprop-2-enoylamino)ethylperoxy]but-2-enoic acid;2,2-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid;2-[[1-[(2-formyloxycyclohexyl)methylperoxy]-2-(2-methylprop-2-enoyloxy)ethyl]peroxymethyl]cyclohexane-1-carboxylic acid;2-[(3-formyloxy-2-pyridinyl)methylperoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxybicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]benzoic acid;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclopropane-1-carboxylic acid

carbon dioxide;(Z)-2,3-dimethyl-4-[2-(2-methylprop-2-enoylamino)ethylperoxy]but-2-enoic acid;2,2-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid;2-[[1-[(2-formyloxycyclohexyl)methylperoxy]-2-(2-methylprop-2-enoyloxy)ethyl]peroxymethyl]cyclohexane-1-carboxylic acid;2-[(3-formyloxy-2-pyridinyl)methylperoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxybicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]benzoic acid;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclopropane-1-carboxylic acid (PubChem CID 159245132) has the molecular formula C142H198N2O66 and a molecular weight of 2989.09 g/mol. Its IUPAC name is carbon dioxide;(Z)-2,3-dimethyl-4-[2-(2-methylprop-2-enoylamino)ethylperoxy]but-2-enoic acid;2,2-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid;2-[[1-[(2-formyloxycyclohexyl)methylperoxy]-2-(2-methylprop-2-enoyloxy)ethyl]peroxymethyl]cyclohexane-1-carboxylic acid;2-[(3-formyloxy-2-pyridinyl)methylperoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxybicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]benzoic acid;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecarbon dioxide;(Z)-2,3-dimethyl-4-[2-(2-methylprop-2-enoylamino)ethylperoxy]but-2-enoic acid;2,2-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid;2-[[1-[(2-formyloxycyclohexyl)methylperoxy]-2-(2-methylprop-2-enoyloxy)ethyl]peroxymethyl]cyclohexane-1-carboxylic acid;2-[(3-formyloxy-2-pyridinyl)methylperoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxybicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]benzoic acid;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclopropane-1-carboxylic acid
PubChem CID159245132
Molecular FormulaC142H198N2O66
Molecular Weight2989.09 g/mol
Exact Mass2987.22
IUPAC Namecarbon dioxide;(Z)-2,3-dimethyl-4-[2-(2-methylprop-2-enoylamino)ethylperoxy]but-2-enoic acid;2,2-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid;2-[[1-[(2-formyloxycyclohexyl)methylperoxy]-2-(2-methylprop-2-enoyloxy)ethyl]peroxymethyl]cyclohexane-1-carboxylic acid;2-[(3-formyloxy-2-pyridinyl)methylperoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxybicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]benzoic acid;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclopropane-1-carboxylic acid
SMILESC=C(C)C(=O)NCCOOC/C(C)=C(/C)C(=O)O.C=C(C)C(=O)OCC(OOCC1CCCCC1OC=O)OOCC1CCCCC1C(=O)O.C=C(C)C(=O)OCCOC(=O)C1C2C=CC(C2)C1OC=O.C=C(C)C(=O)OCCOC(=O)C1C2CCC(O2)C1OC=O.C=C(C)C(=O)OCCOC(=O)CC(C)(C)C(=O)O.C=C(C)C(=O)OCCOOCC1CC1C(=O)O.C=C(C)C(=O)OCCOOCC1CCC(C(=O)O)CC1.C=C(C)C(=O)OCCOOCC1CCCC(C(=O)O)C1.C=C(C)C(=O)OCCOOCc1cccc(C(=O)O)c1.C=C(C)C(=O)OCCOOCc1ncccc1OC=O.O=C=O
InChIInChI=1S/C22H34O10.C15H18O6.C14H18O7.2C14H22O6.C14H16O6.C13H15NO6.C12H19NO5.C12H18O6.C11H16O6.CO2/c1-15(2)22(26)27-13-20(31-29-11-16-7-3-5-9-18(16)21(24)25)32-30-12-17-8-4-6-10-19(17)28-14-23;1-9(2)14(17)19-5-6-20-15(18)12-10-3-4-11(7-10)13(12)21-8-16;1-8(2)13(16)18-5-6-19-14(17)11-9-3-4-10(21-9)12(11)20-7-15;1-10(2)14(17)18-7-8-19-20-9-11-3-5-12(6-4-11)13(15)16;2*1-10(2)14(17)18-6-7-19-20-9-11-4-3-5-12(8-11)13(15)16;1-10(2)13(16)17-6-7-19-20-8-11-12(18-9-15)4-3-5-14-11;1-8(2)11(14)13-5-6-17-18-7-9(3)10(4)12(15)16;1-8(2)10(14)18-6-5-17-9(13)7-12(3,4)11(15)16;1-7(2)11(14)15-3-4-16-17-6-8-5-9(8)10(12)13;2-1-3/h14,16-20H,1,3-13H2,2H3,(H,24,25);3-4,8,10-13H,1,5-7H2,2H3;7,9-12H,1,3-6H2,2H3;2*11-12H,1,3-9H2,2H3,(H,15,16);3-5,8H,1,6-7,9H2,2H3,(H,15,16);3-5,9H,1,6-8H2,2H3;1,5-7H2,2-4H3,(H,13,14)(H,15,16);1,5-7H2,2-4H3,(H,15,16);8-9H,1,3-6H2,2H3,(H,12,13);/b;;;;;;;10-9-;;;
InChIKeyKUOVYOCSYNBGBM-VDBMFSHOSA-N
XLogP13.75
TPSA914.94 Ų
H-Bond Donors8
H-Bond Acceptors60
Rotatable Bonds84
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002989.09
LogP ≤ 513.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

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

Analyze carbon dioxide;(Z)-2,3-dimethyl-4-[2-(2-methylprop-2-enoylamino)ethylperoxy]but-2-enoic acid;2,2-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid;2-[[1-[(2-formyloxycyclohexyl)methylperoxy]-2-(2-methylprop-2-enoyloxy)ethyl]peroxymethyl]cyclohexane-1-carboxylic acid;2-[(3-formyloxy-2-pyridinyl)methylperoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxybicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]benzoic acid;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclopropane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;(Z)-2,3-dimethyl-4-[2-(2-methylprop-2-enoylamino)ethylperoxy]but-2-enoic acid;2,2-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid;2-[[1-[(2-formyloxycyclohexyl)methylperoxy]-2-(2-methylprop-2-enoyloxy)ethyl]peroxymethyl]cyclohexane-1-carboxylic acid;2-[(3-formyloxy-2-pyridinyl)methylperoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxybicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]benzoic acid;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of carbon dioxide;(Z)-2,3-dimethyl-4-[2-(2-methylprop-2-enoylamino)ethylperoxy]but-2-enoic acid;2,2-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid;2-[[1-[(2-formyloxycyclohexyl)methylperoxy]-2-(2-methylprop-2-enoyloxy)ethyl]peroxymethyl]cyclohexane-1-carboxylic acid;2-[(3-formyloxy-2-pyridinyl)methylperoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxybicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]benzoic acid;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclopropane-1-carboxylic acid (CID 159245132) is carbon dioxide;(Z)-2,3-dimethyl-4-[2-(2-methylprop-2-enoylamino)ethylperoxy]but-2-enoic acid;2,2-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid;2-[[1-[(2-formyloxycyclohexyl)methylperoxy]-2-(2-methylprop-2-enoyloxy)ethyl]peroxymethyl]cyclohexane-1-carboxylic acid;2-[(3-formyloxy-2-pyridinyl)methylperoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxybicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]benzoic acid;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for carbon dioxide;(Z)-2,3-dimethyl-4-[2-(2-methylprop-2-enoylamino)ethylperoxy]but-2-enoic acid;2,2-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid;2-[[1-[(2-formyloxycyclohexyl)methylperoxy]-2-(2-methylprop-2-enoyloxy)ethyl]peroxymethyl]cyclohexane-1-carboxylic acid;2-[(3-formyloxy-2-pyridinyl)methylperoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxybicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]benzoic acid;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for carbon dioxide;(Z)-2,3-dimethyl-4-[2-(2-methylprop-2-enoylamino)ethylperoxy]but-2-enoic acid;2,2-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid;2-[[1-[(2-formyloxycyclohexyl)methylperoxy]-2-(2-methylprop-2-enoyloxy)ethyl]peroxymethyl]cyclohexane-1-carboxylic acid;2-[(3-formyloxy-2-pyridinyl)methylperoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxybicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]benzoic acid;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclopropane-1-carboxylic acid is C=C(C)C(=O)NCCOOC/C(C)=C(/C)C(=O)O.C=C(C)C(=O)OCC(OOCC1CCCCC1OC=O)OOCC1CCCCC1C(=O)O.C=C(C)C(=O)OCCOC(=O)C1C2C=CC(C2)C1OC=O.C=C(C)C(=O)OCCOC(=O)C1C2CCC(O2)C1OC=O.C=C(C)C(=O)OCCOC(=O)CC(C)(C)C(=O)O.C=C(C)C(=O)OCCOOCC1CC1C(=O)O.C=C(C)C(=O)OCCOOCC1CCC(C(=O)O)CC1.C=C(C)C(=O)OCCOOCC1CCCC(C(=O)O)C1.C=C(C)C(=O)OCCOOCc1cccc(C(=O)O)c1.C=C(C)C(=O)OCCOOCc1ncccc1OC=O.O=C=O.
What is the InChIKey of carbon dioxide;(Z)-2,3-dimethyl-4-[2-(2-methylprop-2-enoylamino)ethylperoxy]but-2-enoic acid;2,2-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid;2-[[1-[(2-formyloxycyclohexyl)methylperoxy]-2-(2-methylprop-2-enoyloxy)ethyl]peroxymethyl]cyclohexane-1-carboxylic acid;2-[(3-formyloxy-2-pyridinyl)methylperoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxybicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]benzoic acid;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclopropane-1-carboxylic acid?
The InChIKey is KUOVYOCSYNBGBM-VDBMFSHOSA-N. The full InChI is InChI=1S/C22H34O10.C15H18O6.C14H18O7.2C14H22O6.C14H16O6.C13H15NO6.C12H19NO5.C12H18O6.C11H16O6.CO2/c1-15(2)22(26)27-13-20(31-29-11-16-7-3-5-9-18(16)21(24)25)32-30-12-17-8-4-6-10-19(17)28-14-23;1-9(2)14(17)19-5-6-20-15(18)12-10-3-4-11(7-10)13(12)21-8-16;1-8(2)13(16)18-5-6-19-14(17)11-9-3-4-10(21-9)12(11)20-7-15;1-10(2)14(17)18-7-8-19-20-9-11-3-5-12(6-4-11)13(15)16;2*1-10(2)14(17)18-6-7-19-20-9-11-4-3-5-12(8-11)13(15)16;1-10(2)13(16)17-6-7-19-20-8-11-12(18-9-15)4-3-5-14-11;1-8(2)11(14)13-5-6-17-18-7-9(3)10(4)12(15)16;1-8(2)10(14)18-6-5-17-9(13)7-12(3,4)11(15)16;1-7(2)11(14)15-3-4-16-17-6-8-5-9(8)10(12)13;2-1-3/h14,16-20H,1,3-13H2,2H3,(H,24,25);3-4,8,10-13H,1,5-7H2,2H3;7,9-12H,1,3-6H2,2H3;2*11-12H,1,3-9H2,2H3,(H,15,16);3-5,8H,1,6-7,9H2,2H3,(H,15,16);3-5,9H,1,6-8H2,2H3;1,5-7H2,2-4H3,(H,13,14)(H,15,16);1,5-7H2,2-4H3,(H,15,16);8-9H,1,3-6H2,2H3,(H,12,13);/b;;;;;;;10-9-;;;.
What are the key properties of carbon dioxide;(Z)-2,3-dimethyl-4-[2-(2-methylprop-2-enoylamino)ethylperoxy]but-2-enoic acid;2,2-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid;2-[[1-[(2-formyloxycyclohexyl)methylperoxy]-2-(2-methylprop-2-enoyloxy)ethyl]peroxymethyl]cyclohexane-1-carboxylic acid;2-[(3-formyloxy-2-pyridinyl)methylperoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxybicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]benzoic acid;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclopropane-1-carboxylic acid?
carbon dioxide;(Z)-2,3-dimethyl-4-[2-(2-methylprop-2-enoylamino)ethylperoxy]but-2-enoic acid;2,2-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid;2-[[1-[(2-formyloxycyclohexyl)methylperoxy]-2-(2-methylprop-2-enoyloxy)ethyl]peroxymethyl]cyclohexane-1-carboxylic acid;2-[(3-formyloxy-2-pyridinyl)methylperoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxybicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]benzoic acid;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclopropane-1-carboxylic acid has a molecular weight of 2989.09 g/mol, XLogP of 13.75, 84 rotatable bonds, 8 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;(Z)-2,3-dimethyl-4-[2-(2-methylprop-2-enoylamino)ethylperoxy]but-2-enoic acid;2,2-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid;2-[[1-[(2-formyloxycyclohexyl)methylperoxy]-2-(2-methylprop-2-enoyloxy)ethyl]peroxymethyl]cyclohexane-1-carboxylic acid;2-[(3-formyloxy-2-pyridinyl)methylperoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxybicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 3-formyloxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]benzoic acid;3-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 159245132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).