CID 87085916

C24H48MgO2 — CID 87085916

IUPAC—
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.[Mg]
InChIInChI=1S/C24H48O2.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;/h2-23H2,1H3,(H,25,26);
InChIKeyNCVKBZZVQFROLZ-UHFFFAOYSA-N
MW392.95 g/mol
LogP8.29
Rot. Bonds22

About CID 87085916

CID 87085916 (PubChem CID 87085916) has the molecular formula C24H48MgO2 and a molecular weight of 392.95 g/mol.

Molecular Properties

Compound NameCID 87085916
PubChem CID87085916
Molecular FormulaC24H48MgO2
Molecular Weight392.95 g/mol
Exact Mass392.35
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.[Mg]
InChIInChI=1S/C24H48O2.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;/h2-23H2,1H3,(H,25,26);
InChIKeyNCVKBZZVQFROLZ-UHFFFAOYSA-N
XLogP8.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.95
LogP ≤ 58.29
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 87086172
CID 131879320
CID 131879320
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CID 87384567
henicosane;tetracontanoic acid
CID 175935348
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CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
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
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912

Frequently Asked Questions

What is the IUPAC name of CID 87085916?
The IUPAC name of CID 87085916 (CID 87085916) is not available.
What is the SMILES notation for CID 87085916?
The canonical SMILES for CID 87085916 is CCCCCCCCCCCCCCCCCCCCCCCC(=O)O.[Mg].
What is the InChIKey of CID 87085916?
The InChIKey is NCVKBZZVQFROLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O2.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;/h2-23H2,1H3,(H,25,26);.
What are the key properties of CID 87085916?
CID 87085916 has a molecular weight of 392.95 g/mol, XLogP of 8.29, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87085916 is sourced from PubChem (CID 87085916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).