dodecanoic acid;2-methylprop-2-enoic acid;zirconium

C16H30O4Zr — CID 88603348

IUPACdodecanoic acid;2-methylprop-2-enoic acid;zirconium
SMILESC=C(C)C(=O)O.CCCCCCCCCCCC(=O)O.[Zr]
InChIInChI=1S/C12H24O2.C4H6O2.Zr/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3(2)4(5)6;/h2-11H2,1H3,(H,13,14);1H2,2H3,(H,5,6);
InChIKeyABPAFCUXZNNUKW-UHFFFAOYSA-N
MW377.64 g/mol
LogP4.64
Rot. Bonds11

About dodecanoic acid;2-methylprop-2-enoic acid;zirconium

dodecanoic acid;2-methylprop-2-enoic acid;zirconium (PubChem CID 88603348) has the molecular formula C16H30O4Zr and a molecular weight of 377.64 g/mol. Its IUPAC name is dodecanoic acid;2-methylprop-2-enoic acid;zirconium.

Molecular Properties

Compound Namedodecanoic acid;2-methylprop-2-enoic acid;zirconium
PubChem CID88603348
Molecular FormulaC16H30O4Zr
Molecular Weight377.64 g/mol
Exact Mass376.12
IUPAC Namedodecanoic acid;2-methylprop-2-enoic acid;zirconium
SMILESC=C(C)C(=O)O.CCCCCCCCCCCC(=O)O.[Zr]
InChIInChI=1S/C12H24O2.C4H6O2.Zr/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3(2)4(5)6;/h2-11H2,1H3,(H,13,14);1H2,2H3,(H,5,6);
InChIKeyABPAFCUXZNNUKW-UHFFFAOYSA-N
XLogP4.64
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.64
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dodecanoic acid;2-methylprop-2-enoic acid;zirconium 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

bis(2-methylprop-2-enoic acid);octadecanoic acid
CID 158142105
2-methylprop-2-enoic acid;octadecanoic acid;oxotitanium
CID 88668587
hexanoic acid;2-methylprop-2-enoic acid;zinc
CID 174858800
dodecanoic acid;bis(2-methylprop-1-ene)
CID 160518474
2-methylprop-2-enoic acid;octacosane
CID 158715869
decanoic acid;propan-2-one
CID 158596023
ethene;bis(octadecanoic acid)
CID 158437449
hexadecanoic acid;propan-2-one
CID 87722461
acetic acid;decanoic acid
CID 159015360
ethene;pentadecanoic acid
CID 158692309
ethene;bis(hexadecanoic acid)
CID 159407360
hexakis(octadecanoic acid);zinc;zirconium
CID 138753420

Frequently Asked Questions

What is the IUPAC name of dodecanoic acid;2-methylprop-2-enoic acid;zirconium?
The IUPAC name of dodecanoic acid;2-methylprop-2-enoic acid;zirconium (CID 88603348) is dodecanoic acid;2-methylprop-2-enoic acid;zirconium.
What is the SMILES notation for dodecanoic acid;2-methylprop-2-enoic acid;zirconium?
The canonical SMILES for dodecanoic acid;2-methylprop-2-enoic acid;zirconium is C=C(C)C(=O)O.CCCCCCCCCCCC(=O)O.[Zr].
What is the InChIKey of dodecanoic acid;2-methylprop-2-enoic acid;zirconium?
The InChIKey is ABPAFCUXZNNUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C4H6O2.Zr/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3(2)4(5)6;/h2-11H2,1H3,(H,13,14);1H2,2H3,(H,5,6);.
What are the key properties of dodecanoic acid;2-methylprop-2-enoic acid;zirconium?
dodecanoic acid;2-methylprop-2-enoic acid;zirconium has a molecular weight of 377.64 g/mol, XLogP of 4.64, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanoic acid;2-methylprop-2-enoic acid;zirconium is sourced from PubChem (CID 88603348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).