copper;octadecanoyloxyboronic acid

C18H37BCuO4 — CID 175224071

IUPACcopper;octadecanoyloxyboronic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)OB(O)O.[Cu]
InChIInChI=1S/C18H37BO4.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)23-19(21)22;/h21-22H,2-17H2,1H3;
InChIKeyFOSHBYSUHQSFCA-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.76
Rot. Bonds17

About copper;octadecanoyloxyboronic acid

copper;octadecanoyloxyboronic acid (PubChem CID 175224071) has the molecular formula C18H37BCuO4 and a molecular weight of 391.85 g/mol. Its IUPAC name is copper;octadecanoyloxyboronic acid.

Molecular Properties

Compound Namecopper;octadecanoyloxyboronic acid
PubChem CID175224071
Molecular FormulaC18H37BCuO4
Molecular Weight391.85 g/mol
Exact Mass391.21
IUPAC Namecopper;octadecanoyloxyboronic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)OB(O)O.[Cu]
InChIInChI=1S/C18H37BO4.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)23-19(21)22;/h21-22H,2-17H2,1H3;
InChIKeyFOSHBYSUHQSFCA-UHFFFAOYSA-N
XLogP4.76
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

decanoyloxyboronic acid
CID 174927421
dodecanoyloxyboronic acid;bis(propane-1,2,3-triol)
CID 88657156
methyl octadecanoate;methyl octanoate
CID 157178883
methyl heptadecanoate
CID 15609
methyl tetradecanoate
CID 89052795
methyl heptanoate
CID 7826
methanol;methyl decanoate
CID 174459243
methyl heptanoate;dihydrochloride
CID 140971064
CID 159528754
CID 159528754
methyl nonanoate;hydrochloride
CID 141151355
sulfanyl heptanoate
CID 57174280
octanoyl tridecaneperoxoate
CID 141014591

Frequently Asked Questions

What is the IUPAC name of copper;octadecanoyloxyboronic acid?
The IUPAC name of copper;octadecanoyloxyboronic acid (CID 175224071) is copper;octadecanoyloxyboronic acid.
What is the SMILES notation for copper;octadecanoyloxyboronic acid?
The canonical SMILES for copper;octadecanoyloxyboronic acid is CCCCCCCCCCCCCCCCCC(=O)OB(O)O.[Cu].
What is the InChIKey of copper;octadecanoyloxyboronic acid?
The InChIKey is FOSHBYSUHQSFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37BO4.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)23-19(21)22;/h21-22H,2-17H2,1H3;.
What are the key properties of copper;octadecanoyloxyboronic acid?
copper;octadecanoyloxyboronic acid has a molecular weight of 391.85 g/mol, XLogP of 4.76, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;octadecanoyloxyboronic acid is sourced from PubChem (CID 175224071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).