copper;hexoxyboronic acid

C6H15BCuO3 — CID 174901938

IUPACcopper;hexoxyboronic acid
SMILESCCCCCCOB(O)O.[Cu]
InChIInChI=1S/C6H15BO3.Cu/c1-2-3-4-5-6-10-7(8)9;/h8-9H,2-6H2,1H3;
InChIKeyLMVHQNMFLTXYDI-UHFFFAOYSA-N
MW209.54 g/mol
LogP0.55
Rot. Bonds6

About copper;hexoxyboronic acid

copper;hexoxyboronic acid (PubChem CID 174901938) has the molecular formula C6H15BCuO3 and a molecular weight of 209.54 g/mol. Its IUPAC name is copper;hexoxyboronic acid.

Molecular Properties

Compound Namecopper;hexoxyboronic acid
PubChem CID174901938
Molecular FormulaC6H15BCuO3
Molecular Weight209.54 g/mol
Exact Mass209.04
IUPAC Namecopper;hexoxyboronic acid
SMILESCCCCCCOB(O)O.[Cu]
InChIInChI=1S/C6H15BO3.Cu/c1-2-3-4-5-6-10-7(8)9;/h8-9H,2-6H2,1H3;
InChIKeyLMVHQNMFLTXYDI-UHFFFAOYSA-N
XLogP0.55
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.54
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

nonadecoxyboronic acid
CID 154133434
azane;hexoxyboronic acid
CID 174594578
tridecoxyboronic acid;tridodecyl borate
CID 174050200
di(nonoxy)borinic acid
CID 150530087
2-hydroxyethyl(trimethyl)azanium;tetradecoxyboronic acid
CID 174886469
trihexyl borate
CID 21423
ethyl(dihexoxy)borane
CID 12007808
10,10-dimethylundecoxyboronic acid
CID 150810313
heptadecylphosphanylmethoxyboronic acid
CID 172762167
hexoxy-hexyl-methylborane
CID 102060099
pentadecoxymethylboronic acid
CID 151152394
6,6-dihydroxyhexoxyboronic acid
CID 87179416

Frequently Asked Questions

What is the IUPAC name of copper;hexoxyboronic acid?
The IUPAC name of copper;hexoxyboronic acid (CID 174901938) is copper;hexoxyboronic acid.
What is the SMILES notation for copper;hexoxyboronic acid?
The canonical SMILES for copper;hexoxyboronic acid is CCCCCCOB(O)O.[Cu].
What is the InChIKey of copper;hexoxyboronic acid?
The InChIKey is LMVHQNMFLTXYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15BO3.Cu/c1-2-3-4-5-6-10-7(8)9;/h8-9H,2-6H2,1H3;.
What are the key properties of copper;hexoxyboronic acid?
copper;hexoxyboronic acid has a molecular weight of 209.54 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;hexoxyboronic acid is sourced from PubChem (CID 174901938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).