copper;hexadecanoate;borate

C16H31BCuO5-4 — CID 175224143

IUPACcopper;hexadecanoate;borate
SMILESCCCCCCCCCCCCCCCC(=O)[O-].[Cu].[O-]B([O-])[O-]
InChIInChI=1S/C16H32O2.BO3.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;2-1(3)4;/h2-15H2,1H3,(H,17,18);;/q;-3;/p-1
InChIKeyJXLWDFMDIOFXNK-UHFFFAOYSA-M
MW377.78 g/mol
LogP0.27
Rot. Bonds14

About copper;hexadecanoate;borate

copper;hexadecanoate;borate (PubChem CID 175224143) has the molecular formula C16H31BCuO5-4 and a molecular weight of 377.78 g/mol. Its IUPAC name is copper;hexadecanoate;borate.

Molecular Properties

Compound Namecopper;hexadecanoate;borate
PubChem CID175224143
Molecular FormulaC16H31BCuO5-4
Molecular Weight377.78 g/mol
Exact Mass377.16
IUPAC Namecopper;hexadecanoate;borate
SMILESCCCCCCCCCCCCCCCC(=O)[O-].[Cu].[O-]B([O-])[O-]
InChIInChI=1S/C16H32O2.BO3.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;2-1(3)4;/h2-15H2,1H3,(H,17,18);;/q;-3;/p-1
InChIKeyJXLWDFMDIOFXNK-UHFFFAOYSA-M
XLogP0.27
TPSA109.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 161089175
CID 57357175
CID 57357175
copper;copper;bis(octadecanoate)
CID 157120131
CID 173418360
CID 173418360
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
manganese(2+);bis(tricosanoate)
CID 100951425

Frequently Asked Questions

What is the IUPAC name of copper;hexadecanoate;borate?
The IUPAC name of copper;hexadecanoate;borate (CID 175224143) is copper;hexadecanoate;borate.
What is the SMILES notation for copper;hexadecanoate;borate?
The canonical SMILES for copper;hexadecanoate;borate is CCCCCCCCCCCCCCCC(=O)[O-].[Cu].[O-]B([O-])[O-].
What is the InChIKey of copper;hexadecanoate;borate?
The InChIKey is JXLWDFMDIOFXNK-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H32O2.BO3.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;2-1(3)4;/h2-15H2,1H3,(H,17,18);;/q;-3;/p-1.
What are the key properties of copper;hexadecanoate;borate?
copper;hexadecanoate;borate has a molecular weight of 377.78 g/mol, XLogP of 0.27, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;hexadecanoate;borate is sourced from PubChem (CID 175224143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).