copper;dodecanoate;2-methylprop-2-enoate

C16H28CuO4 — CID 130339555

IUPACcopper;dodecanoate;2-methylprop-2-enoate
SMILESC=C(C)C(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Cu+2]
InChIInChI=1S/C12H24O2.C4H6O2.Cu/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);/q;;+2/p-2
InChIKeyVPQKWQXNYDOULQ-UHFFFAOYSA-L
MW347.94 g/mol
LogP1.97
Rot. Bonds11

About copper;dodecanoate;2-methylprop-2-enoate

copper;dodecanoate;2-methylprop-2-enoate (PubChem CID 130339555) has the molecular formula C16H28CuO4 and a molecular weight of 347.94 g/mol. Its IUPAC name is copper;dodecanoate;2-methylprop-2-enoate.

Molecular Properties

Compound Namecopper;dodecanoate;2-methylprop-2-enoate
PubChem CID130339555
Molecular FormulaC16H28CuO4
Molecular Weight347.94 g/mol
Exact Mass347.13
IUPAC Namecopper;dodecanoate;2-methylprop-2-enoate
SMILESC=C(C)C(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Cu+2]
InChIInChI=1S/C12H24O2.C4H6O2.Cu/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);/q;;+2/p-2
InChIKeyVPQKWQXNYDOULQ-UHFFFAOYSA-L
XLogP1.97
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.94
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium heptanoate
CID 23681741
potassium decanoate
CID 23688501
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
potassium heptadecanoate
CID 23668524
copper bis(tricosanoate)
CID 158584848
potassium pentadecanoate
CID 23696764
octapotassium;octakis(decanoate)
CID 23617120
magnesium;bis(2-methylprop-2-enoic acid);bis(octadecanoate)
CID 173046343
copper;copper;bis(octadecanoate)
CID 157120131
potassium;sodium;bis(tetradecanoate)
CID 158769581
dodecanoate;tin(2+);acetate
CID 157367656
CID 23623890
CID 23623890

Frequently Asked Questions

What is the IUPAC name of copper;dodecanoate;2-methylprop-2-enoate?
The IUPAC name of copper;dodecanoate;2-methylprop-2-enoate (CID 130339555) is copper;dodecanoate;2-methylprop-2-enoate.
What is the SMILES notation for copper;dodecanoate;2-methylprop-2-enoate?
The canonical SMILES for copper;dodecanoate;2-methylprop-2-enoate is C=C(C)C(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Cu+2].
What is the InChIKey of copper;dodecanoate;2-methylprop-2-enoate?
The InChIKey is VPQKWQXNYDOULQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H24O2.C4H6O2.Cu/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);/q;;+2/p-2.
What are the key properties of copper;dodecanoate;2-methylprop-2-enoate?
copper;dodecanoate;2-methylprop-2-enoate has a molecular weight of 347.94 g/mol, XLogP of 1.97, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;dodecanoate;2-methylprop-2-enoate is sourced from PubChem (CID 130339555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).