copper cyclohexylperoxy(dioxido)borane

C6H11BCuO4 — CID 161435143

IUPACcopper cyclohexylperoxy(dioxido)borane
SMILES[Cu+2].[O-]B([O-])OOC1CCCCC1
InChIInChI=1S/C6H11BO4.Cu/c8-7(9)11-10-6-4-2-1-3-5-6;/h6H,1-5H2;/q-2;+2
InChIKeyVYNUROKVOKVFAG-UHFFFAOYSA-N
MW221.51 g/mol
LogP-1.03
Rot. Bonds3

About copper cyclohexylperoxy(dioxido)borane

copper cyclohexylperoxy(dioxido)borane (PubChem CID 161435143) has the molecular formula C6H11BCuO4 and a molecular weight of 221.51 g/mol. Its IUPAC name is copper cyclohexylperoxy(dioxido)borane.

Molecular Properties

Compound Namecopper cyclohexylperoxy(dioxido)borane
PubChem CID161435143
Molecular FormulaC6H11BCuO4
Molecular Weight221.51 g/mol
Exact Mass221.00
IUPAC Namecopper cyclohexylperoxy(dioxido)borane
SMILES[Cu+2].[O-]B([O-])OOC1CCCCC1
InChIInChI=1S/C6H11BO4.Cu/c8-7(9)11-10-6-4-2-1-3-5-6;/h6H,1-5H2;/q-2;+2
InChIKeyVYNUROKVOKVFAG-UHFFFAOYSA-N
XLogP-1.03
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.51
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

oxidoperoxyperoxycyclohexane
CID 18339957
cyclohexane;hydroperoxycyclohexane
CID 88671084
cyclohexyloxy nitrate
CID 100959003
cyclohexyloxy-hydroxy-sulfanylidene-λ5-arsane
CID 173088720
cyclobutyloxycyclohexane
CID 89332762
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
tert-butyl(dicyclohexyloxy)borane
CID 141214585
cyclodecyloxyboronic acid
CID 57131416
silyloxycyclohexane
CID 19892694
CID 172763471
CID 172763471
methoxycyclooctane
CID 551195
CID 173424592
CID 173424592

Frequently Asked Questions

What is the IUPAC name of copper cyclohexylperoxy(dioxido)borane?
The IUPAC name of copper cyclohexylperoxy(dioxido)borane (CID 161435143) is copper cyclohexylperoxy(dioxido)borane.
What is the SMILES notation for copper cyclohexylperoxy(dioxido)borane?
The canonical SMILES for copper cyclohexylperoxy(dioxido)borane is [Cu+2].[O-]B([O-])OOC1CCCCC1.
What is the InChIKey of copper cyclohexylperoxy(dioxido)borane?
The InChIKey is VYNUROKVOKVFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BO4.Cu/c8-7(9)11-10-6-4-2-1-3-5-6;/h6H,1-5H2;/q-2;+2.
What are the key properties of copper cyclohexylperoxy(dioxido)borane?
copper cyclohexylperoxy(dioxido)borane has a molecular weight of 221.51 g/mol, XLogP of -1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper cyclohexylperoxy(dioxido)borane is sourced from PubChem (CID 161435143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).