chromium;2-oxooctanoic acid

C8H14CrO3 — CID 174981458

IUPACchromium;2-oxooctanoic acid
SMILESCCCCCCC(=O)C(=O)O.[Cr]
InChIInChI=1S/C8H14O3.Cr/c1-2-3-4-5-6-7(9)8(10)11;/h2-6H2,1H3,(H,10,11);
InChIKeyBENSREAHSMQWEN-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.61
Rot. Bonds6

About chromium;2-oxooctanoic acid

chromium;2-oxooctanoic acid (PubChem CID 174981458) has the molecular formula C8H14CrO3 and a molecular weight of 210.19 g/mol. Its IUPAC name is chromium;2-oxooctanoic acid.

Molecular Properties

Compound Namechromium;2-oxooctanoic acid
PubChem CID174981458
Molecular FormulaC8H14CrO3
Molecular Weight210.19 g/mol
Exact Mass210.03
IUPAC Namechromium;2-oxooctanoic acid
SMILESCCCCCCC(=O)C(=O)O.[Cr]
InChIInChI=1S/C8H14O3.Cr/c1-2-3-4-5-6-7(9)8(10)11;/h2-6H2,1H3,(H,10,11);
InChIKeyBENSREAHSMQWEN-UHFFFAOYSA-N
XLogP1.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxotricosanoic acid
CID 5312932
2-oxoheptadecanoic acid
CID 5312901
alumane;2-oxononadecanoic acid
CID 174495213
copper;2-oxohexanoic acid
CID 88811226
nonatriacontane-16,17-dione
CID 175447711
octadecane-9,10-dione
CID 10902085
12,13-dioxodocosanoic acid
CID 139775715
2,4-dioxodecanoic acid
CID 21475711
chromium;docosanoic acid
CID 88805724
icosane;oxalic acid
CID 175691290
(E)-2,3-dioctadecylbut-2-enedioic acid
CID 87238050
bis(chromium(3+));hexakis(tetradecanoate)
CID 161038412

Frequently Asked Questions

What is the IUPAC name of chromium;2-oxooctanoic acid?
The IUPAC name of chromium;2-oxooctanoic acid (CID 174981458) is chromium;2-oxooctanoic acid.
What is the SMILES notation for chromium;2-oxooctanoic acid?
The canonical SMILES for chromium;2-oxooctanoic acid is CCCCCCC(=O)C(=O)O.[Cr].
What is the InChIKey of chromium;2-oxooctanoic acid?
The InChIKey is BENSREAHSMQWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3.Cr/c1-2-3-4-5-6-7(9)8(10)11;/h2-6H2,1H3,(H,10,11);.
What are the key properties of chromium;2-oxooctanoic acid?
chromium;2-oxooctanoic acid has a molecular weight of 210.19 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;2-oxooctanoic acid is sourced from PubChem (CID 174981458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).