CID 57488644

C14H28LiO2 — CID 57488644

IUPAC—
SMILESCCCCCCCCCCCCCC(=O)O.[Li]
InChIInChI=1S/C14H28O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);
InChIKeyZFGMMWPTVNQNNQ-UHFFFAOYSA-N
MW235.32 g/mol
LogP4.39
Rot. Bonds12

About CID 57488644

CID 57488644 (PubChem CID 57488644) has the molecular formula C14H28LiO2 and a molecular weight of 235.32 g/mol.

Molecular Properties

Compound NameCID 57488644
PubChem CID57488644
Molecular FormulaC14H28LiO2
Molecular Weight235.32 g/mol
Exact Mass235.22
IUPAC Name—
SMILESCCCCCCCCCCCCCC(=O)O.[Li]
InChIInChI=1S/C14H28O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);
InChIKeyZFGMMWPTVNQNNQ-UHFFFAOYSA-N
XLogP4.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 57488644 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

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
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
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of CID 57488644?
The IUPAC name of CID 57488644 (CID 57488644) is not available.
What is the SMILES notation for CID 57488644?
The canonical SMILES for CID 57488644 is CCCCCCCCCCCCCC(=O)O.[Li].
What is the InChIKey of CID 57488644?
The InChIKey is ZFGMMWPTVNQNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);.
What are the key properties of CID 57488644?
CID 57488644 has a molecular weight of 235.32 g/mol, XLogP of 4.39, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57488644 is sourced from PubChem (CID 57488644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).