cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid

C19H38CoO4 — CID 170845955

IUPACcobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid
SMILESCC(C)(C)CCCCCC(=O)O.CC(C)CCCCCC(=O)O.[Co]
InChIInChI=1S/C10H20O2.C9H18O2.Co/c1-10(2,3)8-6-4-5-7-9(11)12;1-8(2)6-4-3-5-7-9(10)11;/h4-8H2,1-3H3,(H,11,12);8H,3-7H2,1-2H3,(H,10,11);
InChIKeyJIWQWZZQAXHWON-UHFFFAOYSA-N
MW389.44 g/mol
LogP5.74
Rot. Bonds11

About cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid

cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid (PubChem CID 170845955) has the molecular formula C19H38CoO4 and a molecular weight of 389.44 g/mol. Its IUPAC name is cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid.

Molecular Properties

Compound Namecobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid
PubChem CID170845955
Molecular FormulaC19H38CoO4
Molecular Weight389.44 g/mol
Exact Mass389.21
IUPAC Namecobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid
SMILESCC(C)(C)CCCCCC(=O)O.CC(C)CCCCCC(=O)O.[Co]
InChIInChI=1S/C10H20O2.C9H18O2.Co/c1-10(2,3)8-6-4-5-7-9(11)12;1-8(2)6-4-3-5-7-9(10)11;/h4-8H2,1-3H3,(H,11,12);8H,3-7H2,1-2H3,(H,10,11);
InChIKeyJIWQWZZQAXHWON-UHFFFAOYSA-N
XLogP5.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.44
LogP ≤ 55.74
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

cobalt;7,7-dimethyloctanoic acid;6-methylheptanoic acid
CID 170845954
6,6-dimethylheptanoic acid;7-methyloctanoic acid
CID 158485923
copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid
CID 91844645
cerium;bis(7,7-dimethyloctanoic acid);8-methylnonanoic acid
CID 170846310
7,7,14-trimethylpentadecanoic acid
CID 91490028
16-methylheptadecanoic acid
CID 87200881
7,7-dimethyloctanoic acid;platinum
CID 174840120
8-methylnonanoic acid;zinc
CID 175431403
azane;16-methylheptadecanoic acid
CID 161380406
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
6,6-dimethylheptanoic acid;8,8-dimethylnonanoic acid;zinc
CID 56844104
7,7-dimethyloctanoic acid;hafnium
CID 174685338

Frequently Asked Questions

What is the IUPAC name of cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid?
The IUPAC name of cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid (CID 170845955) is cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid.
What is the SMILES notation for cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid?
The canonical SMILES for cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid is CC(C)(C)CCCCCC(=O)O.CC(C)CCCCCC(=O)O.[Co].
What is the InChIKey of cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid?
The InChIKey is JIWQWZZQAXHWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C9H18O2.Co/c1-10(2,3)8-6-4-5-7-9(11)12;1-8(2)6-4-3-5-7-9(10)11;/h4-8H2,1-3H3,(H,11,12);8H,3-7H2,1-2H3,(H,10,11);.
What are the key properties of cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid?
cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid has a molecular weight of 389.44 g/mol, XLogP of 5.74, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid is sourced from PubChem (CID 170845955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).