decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate

C198H374O22 — CID 161498189

IUPACdecyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCC.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)OCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C23H44O2.C22H42O2.C21H40O2.C20H38O2.C19H36O2.C18H34O2.C17H32O2.C16H30O2.C15H28O2.C14H26O2.C13H24O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-23(24)22(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-21(22)20(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;1-4-5-6-7-8-9-10-11-12-13-17-15(16)14(2)3;1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3;1-4-5-6-7-8-9-10-11-15-13(14)12(2)3/h2,4-21H2,1,3H3;2,4-20H2,1,3H3;2,4-19H2,1,3H3;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;2,4-13H2,1,3H3;2,4-12H2,1,3H3;2,4-11H2,1,3H3
InChIKeyWGMKSUATKPJZJL-UHFFFAOYSA-N
MW3107.15 g/mol
LogP63.87
Rot. Bonds154

About decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate

decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate (PubChem CID 161498189) has the molecular formula C198H374O22 and a molecular weight of 3107.15 g/mol. Its IUPAC name is decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namedecyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
PubChem CID161498189
Molecular FormulaC198H374O22
Molecular Weight3107.15 g/mol
Exact Mass3104.81
IUPAC Namedecyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCC.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)OCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C23H44O2.C22H42O2.C21H40O2.C20H38O2.C19H36O2.C18H34O2.C17H32O2.C16H30O2.C15H28O2.C14H26O2.C13H24O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-23(24)22(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-21(22)20(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;1-4-5-6-7-8-9-10-11-12-13-17-15(16)14(2)3;1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3;1-4-5-6-7-8-9-10-11-15-13(14)12(2)3/h2,4-21H2,1,3H3;2,4-20H2,1,3H3;2,4-19H2,1,3H3;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;2,4-13H2,1,3H3;2,4-12H2,1,3H3;2,4-11H2,1,3H3
InChIKeyWGMKSUATKPJZJL-UHFFFAOYSA-N
XLogP63.87
TPSA289.30 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds154
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003107.15
LogP ≤ 563.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

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 decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate with MolForge

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Related Compounds

octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
methane;nonyl 2-methylprop-2-enoate
CID 174847930
methane;tridecyl 2-methylprop-2-enoate
CID 174863529
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
dodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 18508448
5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922
10-pentoxydecyl 2-methylprop-2-enoate
CID 139797940
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190

Frequently Asked Questions

What is the IUPAC name of decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate?
The IUPAC name of decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate (CID 161498189) is decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate.
What is the SMILES notation for decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate?
The canonical SMILES for decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCC.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)OCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate?
The InChIKey is WGMKSUATKPJZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2.C22H42O2.C21H40O2.C20H38O2.C19H36O2.C18H34O2.C17H32O2.C16H30O2.C15H28O2.C14H26O2.C13H24O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-23(24)22(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-21(22)20(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;1-4-5-6-7-8-9-10-11-12-13-17-15(16)14(2)3;1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3;1-4-5-6-7-8-9-10-11-15-13(14)12(2)3/h2,4-21H2,1,3H3;2,4-20H2,1,3H3;2,4-19H2,1,3H3;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;2,4-13H2,1,3H3;2,4-12H2,1,3H3;2,4-11H2,1,3H3.
What are the key properties of decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate?
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate has a molecular weight of 3107.15 g/mol, XLogP of 63.87, 154 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate is sourced from PubChem (CID 161498189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).