bis(but-3-en-2-one);carbon dioxide;2-(chloromethyl)oxirane;N',N'-dimethylpropane-1,3-diamine;1-ethenylazepan-2-one;1-ethenylpyrrolidin-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(6Z,9Z)-heptadeca-6,9-diene;tetrakis(2-hydroxyethyl prop-2-enoate);3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;3-methylbut-3-en-2-one;2-methylbutyl 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);oxepan-2-one;prop-2-enoic acid;hexakis(propyl 2-methylprop-2-enoate);styrene;2-tetradecyloxirane

C237H373ClN6O54 — CID 159974470

IUPACbis(but-3-en-2-one);carbon dioxide;2-(chloromethyl)oxirane;N',N'-dimethylpropane-1,3-diamine;1-ethenylazepan-2-one;1-ethenylpyrrolidin-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(6Z,9Z)-heptadeca-6,9-diene;tetrakis(2-hydroxyethyl prop-2-enoate);3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;3-methylbut-3-en-2-one;2-methylbutyl 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);oxepan-2-one;prop-2-enoic acid;hexakis(propyl 2-methylprop-2-enoate);styrene;2-tetradecyloxirane
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OCC(C)CC.C=C(C)C(=O)OCCC.C=C(C)C(=O)OCCC.C=C(C)C(=O)OCCC.C=C(C)C(=O)OCCC.C=C(C)C(=O)OCCC.C=C(C)C(=O)OCCC.C=C(C)C(C)=O.C=CC(=O)O.C=CC(=O)OCCO.C=CC(=O)OCCO.C=CC(=O)OCCO.C=CC(=O)OCCO.C=CC(C)=O.C=CC(C)=O.C=CN1CCCC1=O.C=CN1CCCCCC1=O.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(CO)(CO)C(=O)O.CC1(C)CC(OC#N)CC(C)(CN=C=O)C1.CCC(CO)(CO)CO.CCCCC/C=C\C/C=C\CCCCCCC.CCCCCCCCCCCCCCC1CO1.CN(C)CCCN.ClCC1CO1.O=C1CCCCCO1.O=C=O
InChIInChI=1S/C17H32.C16H32O.C15H16O2.C12H18N2O2.C9H16O2.C8H13NO.5C8H8.6C7H12O2.C6H9NO.C6H14O3.C6H10O2.C5H14N2.C5H10O4.4C5H8O3.2C5H8O2.C5H8O.2C4H6O.C3H5ClO.C3H4O2.CO2/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-11(2)4-10(16-8-13)5-12(3,6-11)7-14-9-15;1-5-8(4)6-11-9(10)7(2)3;1-2-9-7-5-3-4-6-8(9)10;5*1-2-8-6-4-3-5-7-8;6*1-4-5-9-7(8)6(2)3;1-2-7-5-3-4-6(7)8;1-2-6(3-7,4-8)5-9;7-6-4-2-1-3-5-8-6;1-7(2)5-3-4-6;1-5(2-6,3-7)4(8)9;4*1-2-5(7)8-4-3-6;2*1-4(2)5(6)7-3;1-4(2)5(3)6;2*1-3-4(2)5;4-1-3-2-5-3;1-2-3(4)5;2-1-3/h11,13,16-17H,3-10,12,14-15H2,1-2H3;16H,2-15H2,1H3;3-10,16-17H,1-2H3;10H,4-7H2,1-3H3;8H,2,5-6H2,1,3-4H3;2H,1,3-7H2;5*2-7H,1H2;6*2,4-5H2,1,3H3;2H,1,3-5H2;7-9H,2-5H2,1H3;1-5H2;3-6H2,1-2H3;6-7H,2-3H2,1H3,(H,8,9);4*2,6H,1,3-4H2;2*1H2,2-3H3;1H2,2-3H3;2*3H,1H2,2H3;3H,1-2H2;2H,1H2,(H,4,5);/b13-11-,17-16-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyOEYWDJOZEDTPEW-JFAPKTRISA-N
MW4206.03 g/mol
LogP45.61
Rot. Bonds88

About bis(but-3-en-2-one);carbon dioxide;2-(chloromethyl)oxirane;N',N'-dimethylpropane-1,3-diamine;1-ethenylazepan-2-one;1-ethenylpyrrolidin-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(6Z,9Z)-heptadeca-6,9-diene;tetrakis(2-hydroxyethyl prop-2-enoate);3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;3-methylbut-3-en-2-one;2-methylbutyl 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);oxepan-2-one;prop-2-enoic acid;hexakis(propyl 2-methylprop-2-enoate);styrene;2-tetradecyloxirane

bis(but-3-en-2-one);carbon dioxide;2-(chloromethyl)oxirane;N',N'-dimethylpropane-1,3-diamine;1-ethenylazepan-2-one;1-ethenylpyrrolidin-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(6Z,9Z)-heptadeca-6,9-diene;tetrakis(2-hydroxyethyl prop-2-enoate);3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;3-methylbut-3-en-2-one;2-methylbutyl 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);oxepan-2-one;prop-2-enoic acid;hexakis(propyl 2-methylprop-2-enoate);styrene;2-tetradecyloxirane (PubChem CID 159974470) has the molecular formula C237H373ClN6O54 and a molecular weight of 4206.03 g/mol. Its IUPAC name is bis(but-3-en-2-one);carbon dioxide;2-(chloromethyl)oxirane;N',N'-dimethylpropane-1,3-diamine;1-ethenylazepan-2-one;1-ethenylpyrrolidin-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(6Z,9Z)-heptadeca-6,9-diene;tetrakis(2-hydroxyethyl prop-2-enoate);3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;3-methylbut-3-en-2-one;2-methylbutyl 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);oxepan-2-one;prop-2-enoic acid;hexakis(propyl 2-methylprop-2-enoate);styrene;2-tetradecyloxirane.

Molecular Properties

Compound Namebis(but-3-en-2-one);carbon dioxide;2-(chloromethyl)oxirane;N',N'-dimethylpropane-1,3-diamine;1-ethenylazepan-2-one;1-ethenylpyrrolidin-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(6Z,9Z)-heptadeca-6,9-diene;tetrakis(2-hydroxyethyl prop-2-enoate);3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;3-methylbut-3-en-2-one;2-methylbutyl 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);oxepan-2-one;prop-2-enoic acid;hexakis(propyl 2-methylprop-2-enoate);styrene;2-tetradecyloxirane
PubChem CID159974470
Molecular FormulaC237H373ClN6O54
Molecular Weight4206.03 g/mol
Exact Mass4202.63
IUPAC Namebis(but-3-en-2-one);carbon dioxide;2-(chloromethyl)oxirane;N',N'-dimethylpropane-1,3-diamine;1-ethenylazepan-2-one;1-ethenylpyrrolidin-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(6Z,9Z)-heptadeca-6,9-diene;tetrakis(2-hydroxyethyl prop-2-enoate);3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;3-methylbut-3-en-2-one;2-methylbutyl 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);oxepan-2-one;prop-2-enoic acid;hexakis(propyl 2-methylprop-2-enoate);styrene;2-tetradecyloxirane
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OCC(C)CC.C=C(C)C(=O)OCCC.C=C(C)C(=O)OCCC.C=C(C)C(=O)OCCC.C=C(C)C(=O)OCCC.C=C(C)C(=O)OCCC.C=C(C)C(=O)OCCC.C=C(C)C(C)=O.C=CC(=O)O.C=CC(=O)OCCO.C=CC(=O)OCCO.C=CC(=O)OCCO.C=CC(=O)OCCO.C=CC(C)=O.C=CC(C)=O.C=CN1CCCC1=O.C=CN1CCCCCC1=O.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(CO)(CO)C(=O)O.CC1(C)CC(OC#N)CC(C)(CN=C=O)C1.CCC(CO)(CO)CO.CCCCC/C=C\C/C=C\CCCCCCC.CCCCCCCCCCCCCCC1CO1.CN(C)CCCN.ClCC1CO1.O=C1CCCCCO1.O=C=O
InChIInChI=1S/C17H32.C16H32O.C15H16O2.C12H18N2O2.C9H16O2.C8H13NO.5C8H8.6C7H12O2.C6H9NO.C6H14O3.C6H10O2.C5H14N2.C5H10O4.4C5H8O3.2C5H8O2.C5H8O.2C4H6O.C3H5ClO.C3H4O2.CO2/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-11(2)4-10(16-8-13)5-12(3,6-11)7-14-9-15;1-5-8(4)6-11-9(10)7(2)3;1-2-9-7-5-3-4-6-8(9)10;5*1-2-8-6-4-3-5-7-8;6*1-4-5-9-7(8)6(2)3;1-2-7-5-3-4-6(7)8;1-2-6(3-7,4-8)5-9;7-6-4-2-1-3-5-8-6;1-7(2)5-3-4-6;1-5(2-6,3-7)4(8)9;4*1-2-5(7)8-4-3-6;2*1-4(2)5(6)7-3;1-4(2)5(3)6;2*1-3-4(2)5;4-1-3-2-5-3;1-2-3(4)5;2-1-3/h11,13,16-17H,3-10,12,14-15H2,1-2H3;16H,2-15H2,1H3;3-10,16-17H,1-2H3;10H,4-7H2,1-3H3;8H,2,5-6H2,1,3-4H3;2H,1,3-7H2;5*2-7H,1H2;6*2,4-5H2,1,3H3;2H,1,3-5H2;7-9H,2-5H2,1H3;1-5H2;3-6H2,1-2H3;6-7H,2-3H2,1H3,(H,8,9);4*2,6H,1,3-4H2;2*1H2,2-3H3;1H2,2-3H3;2*3H,1H2,2H3;3H,1-2H2;2H,1H2,(H,4,5);/b13-11-,17-16-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyOEYWDJOZEDTPEW-JFAPKTRISA-N
XLogP45.61
TPSA908.07 Ų
H-Bond Donors14
H-Bond Acceptors56
Rotatable Bonds88
Heavy Atoms298
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004206.03
LogP ≤ 545.61
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze bis(but-3-en-2-one);carbon dioxide;2-(chloromethyl)oxirane;N',N'-dimethylpropane-1,3-diamine;1-ethenylazepan-2-one;1-ethenylpyrrolidin-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(6Z,9Z)-heptadeca-6,9-diene;tetrakis(2-hydroxyethyl prop-2-enoate);3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;3-methylbut-3-en-2-one;2-methylbutyl 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);oxepan-2-one;prop-2-enoic acid;hexakis(propyl 2-methylprop-2-enoate);styrene;2-tetradecyloxirane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(but-3-en-2-one);carbon dioxide;2-(chloromethyl)oxirane;N',N'-dimethylpropane-1,3-diamine;1-ethenylazepan-2-one;1-ethenylpyrrolidin-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(6Z,9Z)-heptadeca-6,9-diene;tetrakis(2-hydroxyethyl prop-2-enoate);3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;3-methylbut-3-en-2-one;2-methylbutyl 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);oxepan-2-one;prop-2-enoic acid;hexakis(propyl 2-methylprop-2-enoate);styrene;2-tetradecyloxirane?
The IUPAC name of bis(but-3-en-2-one);carbon dioxide;2-(chloromethyl)oxirane;N',N'-dimethylpropane-1,3-diamine;1-ethenylazepan-2-one;1-ethenylpyrrolidin-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(6Z,9Z)-heptadeca-6,9-diene;tetrakis(2-hydroxyethyl prop-2-enoate);3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;3-methylbut-3-en-2-one;2-methylbutyl 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);oxepan-2-one;prop-2-enoic acid;hexakis(propyl 2-methylprop-2-enoate);styrene;2-tetradecyloxirane (CID 159974470) is bis(but-3-en-2-one);carbon dioxide;2-(chloromethyl)oxirane;N',N'-dimethylpropane-1,3-diamine;1-ethenylazepan-2-one;1-ethenylpyrrolidin-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(6Z,9Z)-heptadeca-6,9-diene;tetrakis(2-hydroxyethyl prop-2-enoate);3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;3-methylbut-3-en-2-one;2-methylbutyl 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);oxepan-2-one;prop-2-enoic acid;hexakis(propyl 2-methylprop-2-enoate);styrene;2-tetradecyloxirane.
What is the SMILES notation for bis(but-3-en-2-one);carbon dioxide;2-(chloromethyl)oxirane;N',N'-dimethylpropane-1,3-diamine;1-ethenylazepan-2-one;1-ethenylpyrrolidin-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(6Z,9Z)-heptadeca-6,9-diene;tetrakis(2-hydroxyethyl prop-2-enoate);3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;3-methylbut-3-en-2-one;2-methylbutyl 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);oxepan-2-one;prop-2-enoic acid;hexakis(propyl 2-methylprop-2-enoate);styrene;2-tetradecyloxirane?
The canonical SMILES for bis(but-3-en-2-one);carbon dioxide;2-(chloromethyl)oxirane;N',N'-dimethylpropane-1,3-diamine;1-ethenylazepan-2-one;1-ethenylpyrrolidin-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(6Z,9Z)-heptadeca-6,9-diene;tetrakis(2-hydroxyethyl prop-2-enoate);3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;3-methylbut-3-en-2-one;2-methylbutyl 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);oxepan-2-one;prop-2-enoic acid;hexakis(propyl 2-methylprop-2-enoate);styrene;2-tetradecyloxirane is C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OCC(C)CC.C=C(C)C(=O)OCCC.C=C(C)C(=O)OCCC.C=C(C)C(=O)OCCC.C=C(C)C(=O)OCCC.C=C(C)C(=O)OCCC.C=C(C)C(=O)OCCC.C=C(C)C(C)=O.C=CC(=O)O.C=CC(=O)OCCO.C=CC(=O)OCCO.C=CC(=O)OCCO.C=CC(=O)OCCO.C=CC(C)=O.C=CC(C)=O.C=CN1CCCC1=O.C=CN1CCCCCC1=O.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(CO)(CO)C(=O)O.CC1(C)CC(OC#N)CC(C)(CN=C=O)C1.CCC(CO)(CO)CO.CCCCC/C=C\C/C=C\CCCCCCC.CCCCCCCCCCCCCCC1CO1.CN(C)CCCN.ClCC1CO1.O=C1CCCCCO1.O=C=O.
What is the InChIKey of bis(but-3-en-2-one);carbon dioxide;2-(chloromethyl)oxirane;N',N'-dimethylpropane-1,3-diamine;1-ethenylazepan-2-one;1-ethenylpyrrolidin-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(6Z,9Z)-heptadeca-6,9-diene;tetrakis(2-hydroxyethyl prop-2-enoate);3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;3-methylbut-3-en-2-one;2-methylbutyl 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);oxepan-2-one;prop-2-enoic acid;hexakis(propyl 2-methylprop-2-enoate);styrene;2-tetradecyloxirane?
The InChIKey is OEYWDJOZEDTPEW-JFAPKTRISA-N. The full InChI is InChI=1S/C17H32.C16H32O.C15H16O2.C12H18N2O2.C9H16O2.C8H13NO.5C8H8.6C7H12O2.C6H9NO.C6H14O3.C6H10O2.C5H14N2.C5H10O4.4C5H8O3.2C5H8O2.C5H8O.2C4H6O.C3H5ClO.C3H4O2.CO2/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-11(2)4-10(16-8-13)5-12(3,6-11)7-14-9-15;1-5-8(4)6-11-9(10)7(2)3;1-2-9-7-5-3-4-6-8(9)10;5*1-2-8-6-4-3-5-7-8;6*1-4-5-9-7(8)6(2)3;1-2-7-5-3-4-6(7)8;1-2-6(3-7,4-8)5-9;7-6-4-2-1-3-5-8-6;1-7(2)5-3-4-6;1-5(2-6,3-7)4(8)9;4*1-2-5(7)8-4-3-6;2*1-4(2)5(6)7-3;1-4(2)5(3)6;2*1-3-4(2)5;4-1-3-2-5-3;1-2-3(4)5;2-1-3/h11,13,16-17H,3-10,12,14-15H2,1-2H3;16H,2-15H2,1H3;3-10,16-17H,1-2H3;10H,4-7H2,1-3H3;8H,2,5-6H2,1,3-4H3;2H,1,3-7H2;5*2-7H,1H2;6*2,4-5H2,1,3H3;2H,1,3-5H2;7-9H,2-5H2,1H3;1-5H2;3-6H2,1-2H3;6-7H,2-3H2,1H3,(H,8,9);4*2,6H,1,3-4H2;2*1H2,2-3H3;1H2,2-3H3;2*3H,1H2,2H3;3H,1-2H2;2H,1H2,(H,4,5);/b13-11-,17-16-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of bis(but-3-en-2-one);carbon dioxide;2-(chloromethyl)oxirane;N',N'-dimethylpropane-1,3-diamine;1-ethenylazepan-2-one;1-ethenylpyrrolidin-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(6Z,9Z)-heptadeca-6,9-diene;tetrakis(2-hydroxyethyl prop-2-enoate);3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;3-methylbut-3-en-2-one;2-methylbutyl 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);oxepan-2-one;prop-2-enoic acid;hexakis(propyl 2-methylprop-2-enoate);styrene;2-tetradecyloxirane?
bis(but-3-en-2-one);carbon dioxide;2-(chloromethyl)oxirane;N',N'-dimethylpropane-1,3-diamine;1-ethenylazepan-2-one;1-ethenylpyrrolidin-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(6Z,9Z)-heptadeca-6,9-diene;tetrakis(2-hydroxyethyl prop-2-enoate);3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;3-methylbut-3-en-2-one;2-methylbutyl 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);oxepan-2-one;prop-2-enoic acid;hexakis(propyl 2-methylprop-2-enoate);styrene;2-tetradecyloxirane has a molecular weight of 4206.03 g/mol, XLogP of 45.61, 88 rotatable bonds, 14 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for bis(but-3-en-2-one);carbon dioxide;2-(chloromethyl)oxirane;N',N'-dimethylpropane-1,3-diamine;1-ethenylazepan-2-one;1-ethenylpyrrolidin-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(6Z,9Z)-heptadeca-6,9-diene;tetrakis(2-hydroxyethyl prop-2-enoate);3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;3-methylbut-3-en-2-one;2-methylbutyl 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);oxepan-2-one;prop-2-enoic acid;hexakis(propyl 2-methylprop-2-enoate);styrene;2-tetradecyloxirane is sourced from PubChem (CID 159974470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).