copper;cyclohexyl butanoate

C10H18CuO2 — CID 67654151

IUPACcopper;cyclohexyl butanoate
SMILESCCCC(=O)OC1CCCCC1.[Cu]
InChIInChI=1S/C10H18O2.Cu/c1-2-6-10(11)12-9-7-4-3-5-8-9;/h9H,2-8H2,1H3;
InChIKeyZVMSVXFFPGFODV-UHFFFAOYSA-N
MW233.80 g/mol
LogP2.66
Rot. Bonds3

About copper;cyclohexyl butanoate

copper;cyclohexyl butanoate (PubChem CID 67654151) has the molecular formula C10H18CuO2 and a molecular weight of 233.80 g/mol. Its IUPAC name is copper;cyclohexyl butanoate.

Molecular Properties

Compound Namecopper;cyclohexyl butanoate
PubChem CID67654151
Molecular FormulaC10H18CuO2
Molecular Weight233.80 g/mol
Exact Mass233.06
IUPAC Namecopper;cyclohexyl butanoate
SMILESCCCC(=O)OC1CCCCC1.[Cu]
InChIInChI=1S/C10H18O2.Cu/c1-2-6-10(11)12-9-7-4-3-5-8-9;/h9H,2-8H2,1H3;
InChIKeyZVMSVXFFPGFODV-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.80
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of copper;cyclohexyl butanoate?
The IUPAC name of copper;cyclohexyl butanoate (CID 67654151) is copper;cyclohexyl butanoate.
What is the SMILES notation for copper;cyclohexyl butanoate?
The canonical SMILES for copper;cyclohexyl butanoate is CCCC(=O)OC1CCCCC1.[Cu].
What is the InChIKey of copper;cyclohexyl butanoate?
The InChIKey is ZVMSVXFFPGFODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2.Cu/c1-2-6-10(11)12-9-7-4-3-5-8-9;/h9H,2-8H2,1H3;.
What are the key properties of copper;cyclohexyl butanoate?
copper;cyclohexyl butanoate has a molecular weight of 233.80 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;cyclohexyl butanoate is sourced from PubChem (CID 67654151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).