copper bis(2-methylhexanoate)

C14H26CuO4 — CID 19768945

IUPACcopper bis(2-methylhexanoate)
SMILESCCCCC(C)C(=O)[O-].CCCCC(C)C(=O)[O-].[Cu+2]
InChIInChI=1S/2C7H14O2.Cu/c2*1-3-4-5-6(2)7(8)9;/h2*6H,3-5H2,1-2H3,(H,8,9);/q;;+2/p-2
InChIKeyIVMWVPNXTUAEEE-UHFFFAOYSA-L
MW321.90 g/mol
LogP1.12
Rot. Bonds8

About copper bis(2-methylhexanoate)

copper bis(2-methylhexanoate) (PubChem CID 19768945) has the molecular formula C14H26CuO4 and a molecular weight of 321.90 g/mol. Its IUPAC name is copper bis(2-methylhexanoate).

Molecular Properties

Compound Namecopper bis(2-methylhexanoate)
PubChem CID19768945
Molecular FormulaC14H26CuO4
Molecular Weight321.90 g/mol
Exact Mass321.11
IUPAC Namecopper bis(2-methylhexanoate)
SMILESCCCCC(C)C(=O)[O-].CCCCC(C)C(=O)[O-].[Cu+2]
InChIInChI=1S/2C7H14O2.Cu/c2*1-3-4-5-6(2)7(8)9;/h2*6H,3-5H2,1-2H3,(H,8,9);/q;;+2/p-2
InChIKeyIVMWVPNXTUAEEE-UHFFFAOYSA-L
XLogP1.12
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.90
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methylhexanoate
CID 6999857
magnesium bis(2-methylnonanoate)
CID 175226104
magnesium bis(2-methylpentanoate)
CID 140813982
lithium 2-methylpentanoate
CID 122554466
6,10-dihydroxy-2,6,10-trimethylpentadecanoate
CID 59229283
1,1'-biphenyl;2-methyloctanoate
CID 22157313
6-hydroxy-2,6-dimethylnonanoate
CID 59271392
6-hydroxy-2,6,10-trimethylpentadecanoate
CID 59229455
dipotassium;2-methylhexanedioate
CID 88781923
bis(copper(1+));bis(2-ethylhexanoate)
CID 21116994
6-azaniumyl-2-methylhexanoate
CID 58988616
(2R)-2-acetamidohexanoate
CID 6995105

Frequently Asked Questions

What is the IUPAC name of copper bis(2-methylhexanoate)?
The IUPAC name of copper bis(2-methylhexanoate) (CID 19768945) is copper bis(2-methylhexanoate).
What is the SMILES notation for copper bis(2-methylhexanoate)?
The canonical SMILES for copper bis(2-methylhexanoate) is CCCCC(C)C(=O)[O-].CCCCC(C)C(=O)[O-].[Cu+2].
What is the InChIKey of copper bis(2-methylhexanoate)?
The InChIKey is IVMWVPNXTUAEEE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H14O2.Cu/c2*1-3-4-5-6(2)7(8)9;/h2*6H,3-5H2,1-2H3,(H,8,9);/q;;+2/p-2.
What are the key properties of copper bis(2-methylhexanoate)?
copper bis(2-methylhexanoate) has a molecular weight of 321.90 g/mol, XLogP of 1.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-methylhexanoate) is sourced from PubChem (CID 19768945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).