dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-morpholin-4-ylethyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;styrene;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate

C135H245NO17 — CID 170851585

IUPACdodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-morpholin-4-ylethyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;styrene;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCN1CCOCC1.C=Cc1ccccc1
InChIInChI=1S/C22H42O2.C20H38O2.C19H36O2.C18H34O2.C17H32O2.C16H30O2.C10H17NO3.C8H8.C5H8O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-19(20)18(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)3;1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-9(2)10(12)14-8-5-11-3-6-13-7-4-11;1-2-8-6-4-3-5-7-8;1-4(2)5(6)7-3/h2,4-20H2,1,3H3;2,4-18H2,1,3H3;2,4-17H2,1,3H3;2,4-16H2,1,3H3;2,4-15H2,1,3H3;2,4-14H2,1,3H3;1,3-8H2,2H3;2-7H,1H2;1H2,2-3H3
InChIKeyPWPNDUMGLPLUJO-UHFFFAOYSA-N
MW2154.43 g/mol
LogP39.90
Rot. Bonds94

About dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-morpholin-4-ylethyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;styrene;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate

dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-morpholin-4-ylethyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;styrene;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate (PubChem CID 170851585) has the molecular formula C135H245NO17 and a molecular weight of 2154.43 g/mol. Its IUPAC name is dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-morpholin-4-ylethyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;styrene;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namedodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-morpholin-4-ylethyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;styrene;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate
PubChem CID170851585
Molecular FormulaC135H245NO17
Molecular Weight2154.43 g/mol
Exact Mass2152.83
IUPAC Namedodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-morpholin-4-ylethyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;styrene;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCN1CCOCC1.C=Cc1ccccc1
InChIInChI=1S/C22H42O2.C20H38O2.C19H36O2.C18H34O2.C17H32O2.C16H30O2.C10H17NO3.C8H8.C5H8O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-19(20)18(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)3;1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-9(2)10(12)14-8-5-11-3-6-13-7-4-11;1-2-8-6-4-3-5-7-8;1-4(2)5(6)7-3/h2,4-20H2,1,3H3;2,4-18H2,1,3H3;2,4-17H2,1,3H3;2,4-16H2,1,3H3;2,4-15H2,1,3H3;2,4-14H2,1,3H3;1,3-8H2,2H3;2-7H,1H2;1H2,2-3H3
InChIKeyPWPNDUMGLPLUJO-UHFFFAOYSA-N
XLogP39.90
TPSA222.87 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds94
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002154.43
LogP ≤ 539.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-morpholin-4-ylethyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;styrene;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate with MolForge

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Related Compounds

butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene
CID 174489864
1,2-bis(ethenyl)benzene;octyl 2-methylprop-2-enoate
CID 21392908
butyl 2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylamino]prop-2-enoate;styrene
CID 70478930
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enamide;styrene
CID 160851195
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene
CID 70469548
benzene;buta-1,3-diene;methyl 2-methylprop-2-enoate;styrene
CID 159846921
benzene;pentyl 2-methylprop-2-enoate
CID 174465726
octadecyl 2-methylprop-2-enoate;4-phenylbut-3-enoic acid
CID 174890269
dodecyl 2-methylprop-2-enoate;4-phenylbut-3-enoic acid
CID 174889777
4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate
CID 71711808
styrene;tridecyl prop-2-enoate
CID 70120047
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;3-hydroxypropyl prop-2-enoate;prop-2-enoic acid;styrene
CID 158235097

Frequently Asked Questions

What is the IUPAC name of dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-morpholin-4-ylethyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;styrene;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate?
The IUPAC name of dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-morpholin-4-ylethyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;styrene;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate (CID 170851585) is dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-morpholin-4-ylethyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;styrene;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate.
What is the SMILES notation for dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-morpholin-4-ylethyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;styrene;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate?
The canonical SMILES for dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-morpholin-4-ylethyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;styrene;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(C)C(=O)OCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCN1CCOCC1.C=Cc1ccccc1.
What is the InChIKey of dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-morpholin-4-ylethyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;styrene;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate?
The InChIKey is PWPNDUMGLPLUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2.C20H38O2.C19H36O2.C18H34O2.C17H32O2.C16H30O2.C10H17NO3.C8H8.C5H8O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-19(20)18(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)3;1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-9(2)10(12)14-8-5-11-3-6-13-7-4-11;1-2-8-6-4-3-5-7-8;1-4(2)5(6)7-3/h2,4-20H2,1,3H3;2,4-18H2,1,3H3;2,4-17H2,1,3H3;2,4-16H2,1,3H3;2,4-15H2,1,3H3;2,4-14H2,1,3H3;1,3-8H2,2H3;2-7H,1H2;1H2,2-3H3.
What are the key properties of dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-morpholin-4-ylethyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;styrene;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate?
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-morpholin-4-ylethyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;styrene;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate has a molecular weight of 2154.43 g/mol, XLogP of 39.90, 94 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-morpholin-4-ylethyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;styrene;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate is sourced from PubChem (CID 170851585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).