copper(1+);4-methylpentanoate

C6H11CuO2 — CID 159345928

IUPACcopper(1+);4-methylpentanoate
SMILESCC(C)CCC(=O)[O-].[Cu+]
InChIInChI=1S/C6H12O2.Cu/c1-5(2)3-4-6(7)8;/h5H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyLGSLKMDUKJEFEH-UHFFFAOYSA-M
MW178.70 g/mol
LogP0.17
Rot. Bonds3

About copper(1+);4-methylpentanoate

copper(1+);4-methylpentanoate (PubChem CID 159345928) has the molecular formula C6H11CuO2 and a molecular weight of 178.70 g/mol. Its IUPAC name is copper(1+);4-methylpentanoate.

Molecular Properties

Compound Namecopper(1+);4-methylpentanoate
PubChem CID159345928
Molecular FormulaC6H11CuO2
Molecular Weight178.70 g/mol
Exact Mass178.01
IUPAC Namecopper(1+);4-methylpentanoate
SMILESCC(C)CCC(=O)[O-].[Cu+]
InChIInChI=1S/C6H12O2.Cu/c1-5(2)3-4-6(7)8;/h5H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyLGSLKMDUKJEFEH-UHFFFAOYSA-M
XLogP0.17
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.70
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

sodium 5-methylhexanoate
CID 58914873
mercury(1+);6-methylheptanoate
CID 175025687
6-methylheptanoate;rubidium(1+)
CID 88757744
tris(6-methylheptanoate);terbium(3+)
CID 175061376
4-bromopentanoate
CID 19430630
sodium 13-methyltetradecanoate
CID 44515571
tetrakis(7-methyloctanoate);zirconium(4+)
CID 57346765
calcium bis(16-methylheptadecanoate)
CID 6453880
potassium 4-chloropentanoate
CID 162525089
2,8-dimethyl-4-methylidenenonan-5-one
CID 121008739
dipotassium;2-methylhexanedioate
CID 88781923
(4S,5R)-4-azaniumyl-5-fluorohexanoate
CID 71717308

Frequently Asked Questions

What is the IUPAC name of copper(1+);4-methylpentanoate?
The IUPAC name of copper(1+);4-methylpentanoate (CID 159345928) is copper(1+);4-methylpentanoate.
What is the SMILES notation for copper(1+);4-methylpentanoate?
The canonical SMILES for copper(1+);4-methylpentanoate is CC(C)CCC(=O)[O-].[Cu+].
What is the InChIKey of copper(1+);4-methylpentanoate?
The InChIKey is LGSLKMDUKJEFEH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12O2.Cu/c1-5(2)3-4-6(7)8;/h5H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1.
What are the key properties of copper(1+);4-methylpentanoate?
copper(1+);4-methylpentanoate has a molecular weight of 178.70 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);4-methylpentanoate is sourced from PubChem (CID 159345928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).