2,2-dihydroxyoctadecanoic acid;zinc

C18H36O4Zn — CID 159899986

IUPAC2,2-dihydroxyoctadecanoic acid;zinc
SMILESCCCCCCCCCCCCCCCCC(O)(O)C(=O)O.[Zn]
InChIInChI=1S/C18H36O4.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21,22)17(19)20;/h21-22H,2-16H2,1H3,(H,19,20);
InChIKeyNVVFJNXCSFIXNJ-UHFFFAOYSA-N
MW381.87 g/mol
LogP4.62
Rot. Bonds16

About 2,2-dihydroxyoctadecanoic acid;zinc

2,2-dihydroxyoctadecanoic acid;zinc (PubChem CID 159899986) has the molecular formula C18H36O4Zn and a molecular weight of 381.87 g/mol. Its IUPAC name is 2,2-dihydroxyoctadecanoic acid;zinc.

Molecular Properties

Compound Name2,2-dihydroxyoctadecanoic acid;zinc
PubChem CID159899986
Molecular FormulaC18H36O4Zn
Molecular Weight381.87 g/mol
Exact Mass380.19
IUPAC Name2,2-dihydroxyoctadecanoic acid;zinc
SMILESCCCCCCCCCCCCCCCCC(O)(O)C(=O)O.[Zn]
InChIInChI=1S/C18H36O4.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21,22)17(19)20;/h21-22H,2-16H2,1H3,(H,19,20);
InChIKeyNVVFJNXCSFIXNJ-UHFFFAOYSA-N
XLogP4.62
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2-dihydroxyoctadecanoic acid;zinc 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

2,2-dihydroxyoctadecanoic acid;sulfuric acid
CID 175211687
2,2-dihydroxyoctadecanoic acid;hexadecanoic acid
CID 174926334
decan-1-amine;2,2-dihydroxyoctadecanoic acid
CID 158461548
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
(2R)-2-dodecyl-2-hydroxytricosanoic acid
CID 163058779
2,3-dihexyl-2,3-dihydroxybutanedioic acid
CID 18506288
2-hydroxy-2-pentyloctanoic acid
CID 18462834
2,3-dihydroxy-2,3-dioctadecylbutanedioic acid
CID 87193003
2,2-dihydroxyoctadecanoic acid;12-hydroxyoctadecanoic acid
CID 88670626
2,9-dihexyl-2,9-dioctyldecanedioic acid
CID 172763339
2-hydroxy-2-pentylheptanoic acid
CID 18462857

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxyoctadecanoic acid;zinc?
The IUPAC name of 2,2-dihydroxyoctadecanoic acid;zinc (CID 159899986) is 2,2-dihydroxyoctadecanoic acid;zinc.
What is the SMILES notation for 2,2-dihydroxyoctadecanoic acid;zinc?
The canonical SMILES for 2,2-dihydroxyoctadecanoic acid;zinc is CCCCCCCCCCCCCCCCC(O)(O)C(=O)O.[Zn].
What is the InChIKey of 2,2-dihydroxyoctadecanoic acid;zinc?
The InChIKey is NVVFJNXCSFIXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21,22)17(19)20;/h21-22H,2-16H2,1H3,(H,19,20);.
What are the key properties of 2,2-dihydroxyoctadecanoic acid;zinc?
2,2-dihydroxyoctadecanoic acid;zinc has a molecular weight of 381.87 g/mol, XLogP of 4.62, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxyoctadecanoic acid;zinc is sourced from PubChem (CID 159899986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).