CID 87384567

C26H52MgO2 — CID 87384567

IUPAC—
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.[Mg]
InChIInChI=1S/C26H52O2.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28;/h2-25H2,1H3,(H,27,28);
InChIKeyOKIGWYADTGJLRL-UHFFFAOYSA-N
MW421.01 g/mol
LogP9.07
Rot. Bonds24

About CID 87384567

CID 87384567 (PubChem CID 87384567) has the molecular formula C26H52MgO2 and a molecular weight of 421.01 g/mol.

Molecular Properties

Compound NameCID 87384567
PubChem CID87384567
Molecular FormulaC26H52MgO2
Molecular Weight421.01 g/mol
Exact Mass420.38
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.[Mg]
InChIInChI=1S/C26H52O2.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28;/h2-25H2,1H3,(H,27,28);
InChIKeyOKIGWYADTGJLRL-UHFFFAOYSA-N
XLogP9.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.01
LogP ≤ 59.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 87085916
octadecanoic acid
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hexadecane;hexadecanedioic acid
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CID 161134683
bis(hexane);tetradecanoic acid
CID 173301731
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024

Frequently Asked Questions

What is the IUPAC name of CID 87384567?
The IUPAC name of CID 87384567 (CID 87384567) is not available.
What is the SMILES notation for CID 87384567?
The canonical SMILES for CID 87384567 is CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.[Mg].
What is the InChIKey of CID 87384567?
The InChIKey is OKIGWYADTGJLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O2.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28;/h2-25H2,1H3,(H,27,28);.
What are the key properties of CID 87384567?
CID 87384567 has a molecular weight of 421.01 g/mol, XLogP of 9.07, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87384567 is sourced from PubChem (CID 87384567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).