CID 87086172

C7H14MgO2 — CID 87086172

IUPAC—
SMILESCCCCCCC(=O)O.[Mg]
InChIInChI=1S/C7H14O2.Mg/c1-2-3-4-5-6-7(8)9;/h2-6H2,1H3,(H,8,9);
InChIKeyLBMXZAUPEWUEAQ-UHFFFAOYSA-N
MW154.49 g/mol
LogP1.66
Rot. Bonds5

About CID 87086172

CID 87086172 (PubChem CID 87086172) has the molecular formula C7H14MgO2 and a molecular weight of 154.49 g/mol.

Molecular Properties

Compound NameCID 87086172
PubChem CID87086172
Molecular FormulaC7H14MgO2
Molecular Weight154.49 g/mol
Exact Mass154.08
IUPAC Name—
SMILESCCCCCCC(=O)O.[Mg]
InChIInChI=1S/C7H14O2.Mg/c1-2-3-4-5-6-7(8)9;/h2-6H2,1H3,(H,8,9);
InChIKeyLBMXZAUPEWUEAQ-UHFFFAOYSA-N
XLogP1.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.49
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 87086172 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 131879320
CID 131879320
CID 87085916
CID 87085916
CID 87384567
CID 87384567
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
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 87086172?
The IUPAC name of CID 87086172 (CID 87086172) is not available.
What is the SMILES notation for CID 87086172?
The canonical SMILES for CID 87086172 is CCCCCCC(=O)O.[Mg].
What is the InChIKey of CID 87086172?
The InChIKey is LBMXZAUPEWUEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.Mg/c1-2-3-4-5-6-7(8)9;/h2-6H2,1H3,(H,8,9);.
What are the key properties of CID 87086172?
CID 87086172 has a molecular weight of 154.49 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87086172 is sourced from PubChem (CID 87086172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).