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

C100H190O10 — CID 170851547

IUPACdodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C24H46O2.C22H42O2.C20H38O2.C18H34O2.C16H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-24(25)23(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;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3;1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h2,4-22H2,1,3H3;2,4-20H2,1,3H3;2,4-18H2,1,3H3;2,4-16H2,1,3H3;2,4-14H2,1,3H3
InChIKeyUIJUYJXHFLMWRX-UHFFFAOYSA-N
MW1552.61 g/mol
LogP32.94
Rot. Bonds80

About 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

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 (PubChem CID 170851547) has the molecular formula C100H190O10 and a molecular weight of 1552.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namedodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
PubChem CID170851547
Molecular FormulaC100H190O10
Molecular Weight1552.61 g/mol
Exact Mass1551.44
IUPAC Namedodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C24H46O2.C22H42O2.C20H38O2.C18H34O2.C16H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-24(25)23(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;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3;1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h2,4-22H2,1,3H3;2,4-20H2,1,3H3;2,4-18H2,1,3H3;2,4-16H2,1,3H3;2,4-14H2,1,3H3
InChIKeyUIJUYJXHFLMWRX-UHFFFAOYSA-N
XLogP32.94
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds80
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001552.61
LogP ≤ 532.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 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
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C)C(=O)OCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 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?
The InChIKey is UIJUYJXHFLMWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2.C22H42O2.C20H38O2.C18H34O2.C16H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-24(25)23(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;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3;1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h2,4-22H2,1,3H3;2,4-20H2,1,3H3;2,4-18H2,1,3H3;2,4-16H2,1,3H3;2,4-14H2,1,3H3.
What are the key properties of 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?
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 has a molecular weight of 1552.61 g/mol, XLogP of 32.94, 80 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170851547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).