copper;3-(4-ethylcyclohexyl)propanoate;3-(3-ethylcyclopentyl)propanoate

C21H36CuO4 — CID 71586776

💊View drug profile → copper naphthenate
IUPACcopper;3-(4-ethylcyclohexyl)propanoate;3-(3-ethylcyclopentyl)propanoate
SMILESCCC1CCC(CCC(=O)[O-])C1.CCC1CCC(CCC(=O)[O-])CC1.[Cu+2]
InChIInChI=1S/C11H20O2.C10H18O2.Cu/c1-2-9-3-5-10(6-4-9)7-8-11(12)13;1-2-8-3-4-9(7-8)5-6-10(11)12;/h9-10H,2-8H2,1H3,(H,12,13);8-9H,2-7H2,1H3,(H,11,12);/q;;+2/p-2
InChIKeySEVNKWFHTNVOLD-UHFFFAOYSA-L
MW416.06 g/mol
LogP3.07
Rot. Bonds8

About copper;3-(4-ethylcyclohexyl)propanoate;3-(3-ethylcyclopentyl)propanoate

copper;3-(4-ethylcyclohexyl)propanoate;3-(3-ethylcyclopentyl)propanoate (PubChem CID 71586776) has the molecular formula C21H36CuO4 and a molecular weight of 416.06 g/mol. Its IUPAC name is copper;3-(4-ethylcyclohexyl)propanoate;3-(3-ethylcyclopentyl)propanoate.

Molecular Properties

Compound Namecopper;3-(4-ethylcyclohexyl)propanoate;3-(3-ethylcyclopentyl)propanoate
PubChem CID71586776
Molecular FormulaC21H36CuO4
Molecular Weight416.06 g/mol
Exact Mass415.19
IUPAC Namecopper;3-(4-ethylcyclohexyl)propanoate;3-(3-ethylcyclopentyl)propanoate
SMILESCCC1CCC(CCC(=O)[O-])C1.CCC1CCC(CCC(=O)[O-])CC1.[Cu+2]
InChIInChI=1S/C11H20O2.C10H18O2.Cu/c1-2-9-3-5-10(6-4-9)7-8-11(12)13;1-2-8-3-4-9(7-8)5-6-10(11)12;/h9-10H,2-8H2,1H3,(H,12,13);8-9H,2-7H2,1H3,(H,11,12);/q;;+2/p-2
InChIKeySEVNKWFHTNVOLD-UHFFFAOYSA-L
XLogP3.07
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.06
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethylcyclopentyl)pentan-3-one
CID 122412950
1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one
CID 64503603
3-(4-azaniumylcyclohexyl)propanoate
CID 40530841
sodium 3-cyclopentylpropanoate
CID 162201470
1,3-diethylcyclopentane
CID 530396
tert-butyl 3-(4-ethylcyclohexyl)propanoate
CID 58103664
propyl 3-(4-ethylcyclohexyl)propanoate
CID 59863738
acetic acid;ethylcyclopropane
CID 175213909
1-ethyl-4-(2-fluoroethyl)cyclohexane
CID 18344113
[(1R,3R)-3-ethylcyclopentyl]methanol
CID 14940085
1-cyclopropyl-4-hydroxy-4-methylhexan-3-one
CID 103446812
1-(3-ethylcyclopentyl)butan-1-one
CID 65407371

Frequently Asked Questions

What is the IUPAC name of copper;3-(4-ethylcyclohexyl)propanoate;3-(3-ethylcyclopentyl)propanoate?
The IUPAC name of copper;3-(4-ethylcyclohexyl)propanoate;3-(3-ethylcyclopentyl)propanoate (CID 71586776) is copper;3-(4-ethylcyclohexyl)propanoate;3-(3-ethylcyclopentyl)propanoate.
What is the SMILES notation for copper;3-(4-ethylcyclohexyl)propanoate;3-(3-ethylcyclopentyl)propanoate?
The canonical SMILES for copper;3-(4-ethylcyclohexyl)propanoate;3-(3-ethylcyclopentyl)propanoate is CCC1CCC(CCC(=O)[O-])C1.CCC1CCC(CCC(=O)[O-])CC1.[Cu+2].
What is the InChIKey of copper;3-(4-ethylcyclohexyl)propanoate;3-(3-ethylcyclopentyl)propanoate?
The InChIKey is SEVNKWFHTNVOLD-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H20O2.C10H18O2.Cu/c1-2-9-3-5-10(6-4-9)7-8-11(12)13;1-2-8-3-4-9(7-8)5-6-10(11)12;/h9-10H,2-8H2,1H3,(H,12,13);8-9H,2-7H2,1H3,(H,11,12);/q;;+2/p-2.
What are the key properties of copper;3-(4-ethylcyclohexyl)propanoate;3-(3-ethylcyclopentyl)propanoate?
copper;3-(4-ethylcyclohexyl)propanoate;3-(3-ethylcyclopentyl)propanoate has a molecular weight of 416.06 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;3-(4-ethylcyclohexyl)propanoate;3-(3-ethylcyclopentyl)propanoate is sourced from PubChem (CID 71586776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).