copper(1+);2,2-dimethylheptanoate

C9H17CuO2 — CID 159491834

IUPACcopper(1+);2,2-dimethylheptanoate
SMILESCCCCCC(C)(C)C(=O)[O-].[Cu+]
InChIInChI=1S/C9H18O2.Cu/c1-4-5-6-7-9(2,3)8(10)11;/h4-7H2,1-3H3,(H,10,11);/q;+1/p-1
InChIKeyLYHCHBMOHXJOHN-UHFFFAOYSA-M
MW220.78 g/mol
LogP1.34
Rot. Bonds5

About copper(1+);2,2-dimethylheptanoate

copper(1+);2,2-dimethylheptanoate (PubChem CID 159491834) has the molecular formula C9H17CuO2 and a molecular weight of 220.78 g/mol. Its IUPAC name is copper(1+);2,2-dimethylheptanoate.

Molecular Properties

Compound Namecopper(1+);2,2-dimethylheptanoate
PubChem CID159491834
Molecular FormulaC9H17CuO2
Molecular Weight220.78 g/mol
Exact Mass220.05
IUPAC Namecopper(1+);2,2-dimethylheptanoate
SMILESCCCCCC(C)(C)C(=O)[O-].[Cu+]
InChIInChI=1S/C9H18O2.Cu/c1-4-5-6-7-9(2,3)8(10)11;/h4-7H2,1-3H3,(H,10,11);/q;+1/p-1
InChIKeyLYHCHBMOHXJOHN-UHFFFAOYSA-M
XLogP1.34
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.78
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis(2,2-dimethyloctanoate);tin(2+) dihydride
CID 173040991
2,2-dimethyloctanoate;bis(2-ethyl-2-methylheptanoate);samarium(3+)
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silver 2,2-dimethylpentanoate
CID 121375132
bis(2,2-dimethyloctanoate);platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
CID 14801299
2-hexyl-2-methylpentadecanoate
CID 57350898
6-(5-carboxylato-5-methylhexoxy)-2,2-dimethylhexanoate
CID 140886143
2,2-dimethylhexadecanamide
CID 23297438
dipotassium;2,2-dipentylpropanedioate
CID 139411547
2,2-dimethyldocosanoic acid
CID 23471202
2,2-dimethyldecanamide
CID 22596903
calcium 2,2-didodecylpropanedioate
CID 153423845
bis(2-ethyl-2-methylheptanoate);manganese(2+)
CID 138394983

Frequently Asked Questions

What is the IUPAC name of copper(1+);2,2-dimethylheptanoate?
The IUPAC name of copper(1+);2,2-dimethylheptanoate (CID 159491834) is copper(1+);2,2-dimethylheptanoate.
What is the SMILES notation for copper(1+);2,2-dimethylheptanoate?
The canonical SMILES for copper(1+);2,2-dimethylheptanoate is CCCCCC(C)(C)C(=O)[O-].[Cu+].
What is the InChIKey of copper(1+);2,2-dimethylheptanoate?
The InChIKey is LYHCHBMOHXJOHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18O2.Cu/c1-4-5-6-7-9(2,3)8(10)11;/h4-7H2,1-3H3,(H,10,11);/q;+1/p-1.
What are the key properties of copper(1+);2,2-dimethylheptanoate?
copper(1+);2,2-dimethylheptanoate has a molecular weight of 220.78 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2,2-dimethylheptanoate is sourced from PubChem (CID 159491834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).