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

C20H36O4 — CID 18508448

IUPACdodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OCCCCCCCCCCCC
InChIInChI=1S/C16H30O2.C4H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-3(2)4(5)6/h2,4-14H2,1,3H3;1H2,2H3,(H,5,6)
InChIKeyVOBKFBGLANJANG-UHFFFAOYSA-N
MW340.50 g/mol
LogP5.67
Rot. Bonds13

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

dodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid (PubChem CID 18508448) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is dodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namedodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
PubChem CID18508448
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Namedodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OCCCCCCCCCCCC
InChIInChI=1S/C16H30O2.C4H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-3(2)4(5)6/h2,4-14H2,1,3H3;1H2,2H3,(H,5,6)
InChIKeyVOBKFBGLANJANG-UHFFFAOYSA-N
XLogP5.67
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.50
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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;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

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
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
benzene;pentyl 2-methylprop-2-enoate
CID 174465726
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922
10-pentoxydecyl 2-methylprop-2-enoate
CID 139797940

Frequently Asked Questions

What is the IUPAC name of dodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The IUPAC name of dodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid (CID 18508448) is dodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid.
What is the SMILES notation for dodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The canonical SMILES for dodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=C(C)C(=O)OCCCCCCCCCCCC.
What is the InChIKey of dodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The InChIKey is VOBKFBGLANJANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2.C4H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-3(2)4(5)6/h2,4-14H2,1,3H3;1H2,2H3,(H,5,6).
What are the key properties of dodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
dodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid has a molecular weight of 340.50 g/mol, XLogP of 5.67, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid is sourced from PubChem (CID 18508448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).