CID 158956860

C24H48KO4 — CID 158956860

IUPAC—
SMILESCCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.[K]
InChIInChI=1S/2C12H24O2.K/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);
InChIKeyJMCMHRMYXQMVCH-UHFFFAOYSA-N
MW439.74 g/mol
LogP7.60
Rot. Bonds20

About CID 158956860

CID 158956860 (PubChem CID 158956860) has the molecular formula C24H48KO4 and a molecular weight of 439.74 g/mol.

Molecular Properties

Compound NameCID 158956860
PubChem CID158956860
Molecular FormulaC24H48KO4
Molecular Weight439.74 g/mol
Exact Mass439.32
IUPAC Name—
SMILESCCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.[K]
InChIInChI=1S/2C12H24O2.K/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);
InChIKeyJMCMHRMYXQMVCH-UHFFFAOYSA-N
XLogP7.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.74
LogP ≤ 57.60
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

CID 131849704
CID 131849704
CID 87059166
CID 87059166
CID 87091593
CID 87091593
Potassium palmitate (U-13C16, 98%+)
CID 171042869
decanoic acid
CID 173247116
dodecanoic acid
CID 158187269
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161

Frequently Asked Questions

What is the IUPAC name of CID 158956860?
The IUPAC name of CID 158956860 (CID 158956860) is not available.
What is the SMILES notation for CID 158956860?
The canonical SMILES for CID 158956860 is CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.[K].
What is the InChIKey of CID 158956860?
The InChIKey is JMCMHRMYXQMVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H24O2.K/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);.
What are the key properties of CID 158956860?
CID 158956860 has a molecular weight of 439.74 g/mol, XLogP of 7.60, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158956860 is sourced from PubChem (CID 158956860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).