dodecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid

C25H44O6 — CID 20565525

IUPACdodecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC.C=C(C)C(=O)OCCCCCCCCCCCC
InChIInChI=1S/C16H30O2.C5H8O2.C4H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-4(2)5(6)7-3;1-3(2)4(5)6/h2,4-14H2,1,3H3;1H2,2-3H3;1H2,2H3,(H,5,6)
InChIKeyUEZJACFUGDMGAD-UHFFFAOYSA-N
MW440.62 g/mol
LogP6.41
Rot. Bonds14

About dodecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid

dodecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid (PubChem CID 20565525) has the molecular formula C25H44O6 and a molecular weight of 440.62 g/mol. Its IUPAC name is dodecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namedodecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
PubChem CID20565525
Molecular FormulaC25H44O6
Molecular Weight440.62 g/mol
Exact Mass440.31
IUPAC Namedodecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC.C=C(C)C(=O)OCCCCCCCCCCCC
InChIInChI=1S/C16H30O2.C5H8O2.C4H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-4(2)5(6)7-3;1-3(2)4(5)6/h2,4-14H2,1,3H3;1H2,2-3H3;1H2,2H3,(H,5,6)
InChIKeyUEZJACFUGDMGAD-UHFFFAOYSA-N
XLogP6.41
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.62
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dodecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lauryl Methacrylate
CID 8906
Tridecyl methacrylate
CID 17234
Hexadecyl methacrylate
CID 17235
Tetradecyl methacrylate
CID 17351
Decyl methacrylate
CID 18510
1,10-Decamethylene dimethacrylate
CID 81196
Octyl methacrylate
CID 16542
Stearyl methacrylate
CID 122600
Pentadecyl methacrylate
CID 80232
2-Propenoic acid, 2-methyl-, nonyl ester
CID 98534
12-(2-Methylprop-2-enoyloxy)dodecyl 2-methylprop-2-enoate
CID 175191
Arachidyl methacrylate
CID 155040

Frequently Asked Questions

What is the IUPAC name of dodecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The IUPAC name of dodecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid (CID 20565525) is dodecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid.
What is the SMILES notation for dodecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The canonical SMILES for dodecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=C(C)C(=O)OC.C=C(C)C(=O)OCCCCCCCCCCCC.
What is the InChIKey of dodecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The InChIKey is UEZJACFUGDMGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2.C5H8O2.C4H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-4(2)5(6)7-3;1-3(2)4(5)6/h2,4-14H2,1,3H3;1H2,2-3H3;1H2,2H3,(H,5,6).
What are the key properties of dodecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
dodecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid has a molecular weight of 440.62 g/mol, XLogP of 6.41, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid is sourced from PubChem (CID 20565525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).