copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid

C18H36CuO4 — CID 91844645

IUPACcopper;7,7-dimethyloctanoic acid;6-methylheptanoic acid
SMILESCC(C)(C)CCCCCC(=O)O.CC(C)CCCCC(=O)O.[Cu]
InChIInChI=1S/C10H20O2.C8H16O2.Cu/c1-10(2,3)8-6-4-5-7-9(11)12;1-7(2)5-3-4-6-8(9)10;/h4-8H2,1-3H3,(H,11,12);7H,3-6H2,1-2H3,(H,9,10);
InChIKeyPNTNPQYEWJGRMC-UHFFFAOYSA-N
MW380.03 g/mol
LogP5.35
Rot. Bonds10

About copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid

copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid (PubChem CID 91844645) has the molecular formula C18H36CuO4 and a molecular weight of 380.03 g/mol. Its IUPAC name is copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid.

Molecular Properties

Compound Namecopper;7,7-dimethyloctanoic acid;6-methylheptanoic acid
PubChem CID91844645
Molecular FormulaC18H36CuO4
Molecular Weight380.03 g/mol
Exact Mass379.19
IUPAC Namecopper;7,7-dimethyloctanoic acid;6-methylheptanoic acid
SMILESCC(C)(C)CCCCCC(=O)O.CC(C)CCCCC(=O)O.[Cu]
InChIInChI=1S/C10H20O2.C8H16O2.Cu/c1-10(2,3)8-6-4-5-7-9(11)12;1-7(2)5-3-4-6-8(9)10;/h4-8H2,1-3H3,(H,11,12);7H,3-6H2,1-2H3,(H,9,10);
InChIKeyPNTNPQYEWJGRMC-UHFFFAOYSA-N
XLogP5.35
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.03
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,6-dimethylheptanoic acid;7-methyloctanoic acid
CID 158485923
cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid
CID 170845955
cerium;bis(7,7-dimethyloctanoic acid);8-methylnonanoic acid
CID 170846310
cobalt;7,7-dimethyloctanoic acid;6-methylheptanoic acid
CID 170845954
7,7,14-trimethylpentadecanoic acid
CID 91490028
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
16-methylheptadecanoic acid
CID 87200881
7,7-dimethyloctanoic acid;platinum
CID 174840120
azane;16-methylheptadecanoic acid
CID 161380406
8-methylnonanoic acid;zinc
CID 175431403
7,7-dimethyloctanoic acid;mercury
CID 159526990
7,7-dimethyloctanoic acid;hafnium
CID 174685338

Frequently Asked Questions

What is the IUPAC name of copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid?
The IUPAC name of copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid (CID 91844645) is copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid.
What is the SMILES notation for copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid?
The canonical SMILES for copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid is CC(C)(C)CCCCCC(=O)O.CC(C)CCCCC(=O)O.[Cu].
What is the InChIKey of copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid?
The InChIKey is PNTNPQYEWJGRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C8H16O2.Cu/c1-10(2,3)8-6-4-5-7-9(11)12;1-7(2)5-3-4-6-8(9)10;/h4-8H2,1-3H3,(H,11,12);7H,3-6H2,1-2H3,(H,9,10);.
What are the key properties of copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid?
copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid has a molecular weight of 380.03 g/mol, XLogP of 5.35, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid is sourced from PubChem (CID 91844645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).