CID 173101164

C36H70AlMgO6 — CID 173101164

IUPAC—
SMILESO=C([O-])CCCCCCCCCCCCCCCCCO.O=C([O-])CCCCCCCCCCCCCCCCCO.[Al].[Mg+2]
InChIInChI=1S/2C18H36O3.Al.Mg/c2*19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21;;/h2*19H,1-17H2,(H,20,21);;/q;;;+2/p-2
InChIKeyMMAFHMDIFYXGSE-UHFFFAOYSA-L
MW650.24 g/mol
LogP7.18
Rot. Bonds34

About CID 173101164

CID 173101164 (PubChem CID 173101164) has the molecular formula C36H70AlMgO6 and a molecular weight of 650.24 g/mol.

Molecular Properties

Compound NameCID 173101164
PubChem CID173101164
Molecular FormulaC36H70AlMgO6
Molecular Weight650.24 g/mol
Exact Mass649.48
IUPAC Name—
SMILESO=C([O-])CCCCCCCCCCCCCCCCCO.O=C([O-])CCCCCCCCCCCCCCCCCO.[Al].[Mg+2]
InChIInChI=1S/2C18H36O3.Al.Mg/c2*19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21;;/h2*19H,1-17H2,(H,20,21);;/q;;;+2/p-2
InChIKeyMMAFHMDIFYXGSE-UHFFFAOYSA-L
XLogP7.18
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds34
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.24
LogP ≤ 57.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 173101164 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

magnesium bis(6-hydroxyhexanoate)
CID 156828255
30-hydroxytriacontanoate
CID 71768153
strontium bis(6-hydroxyhexanoate)
CID 156828259
tetrakis(6-hydroxyhexanoate);titanium(4+)
CID 173190701
calcium;lithium;tris(18-hydroxyoctadecanoate)
CID 173343928
magnesium hexanedioate
CID 24074
tridecanedioate
CID 6994474
sodium;dodecan-1-ol;octadecanoate
CID 174506535
sodium 4-hydroxy(1,2,3,4-13C4)butanoate
CID 139025091
dipotassium;octadecanedioate
CID 141466899
disodium;undecanedioate
CID 15107599
calcium decanedioate
CID 11637296

Frequently Asked Questions

What is the IUPAC name of CID 173101164?
The IUPAC name of CID 173101164 (CID 173101164) is not available.
What is the SMILES notation for CID 173101164?
The canonical SMILES for CID 173101164 is O=C([O-])CCCCCCCCCCCCCCCCCO.O=C([O-])CCCCCCCCCCCCCCCCCO.[Al].[Mg+2].
What is the InChIKey of CID 173101164?
The InChIKey is MMAFHMDIFYXGSE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H36O3.Al.Mg/c2*19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21;;/h2*19H,1-17H2,(H,20,21);;/q;;;+2/p-2.
What are the key properties of CID 173101164?
CID 173101164 has a molecular weight of 650.24 g/mol, XLogP of 7.18, 34 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173101164 is sourced from PubChem (CID 173101164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).