CID 173230624

C8H14O2Tl — CID 173230624

IUPAC—
SMILESCC1CCC(C(=O)O)CC1.[Tl]
InChIInChI=1S/C8H14O2.Tl/c1-6-2-4-7(5-3-6)8(9)10;/h6-7H,2-5H2,1H3,(H,9,10);
InChIKeyWCKMHFJYVFBQKB-UHFFFAOYSA-N
MW346.58 g/mol
LogP1.52
Rot. Bonds1

About CID 173230624

CID 173230624 (PubChem CID 173230624) has the molecular formula C8H14O2Tl and a molecular weight of 346.58 g/mol.

Molecular Properties

Compound NameCID 173230624
PubChem CID173230624
Molecular FormulaC8H14O2Tl
Molecular Weight346.58 g/mol
Exact Mass347.07
IUPAC Name—
SMILESCC1CCC(C(=O)O)CC1.[Tl]
InChIInChI=1S/C8H14O2.Tl/c1-6-2-4-7(5-3-6)8(9)10;/h6-7H,2-5H2,1H3,(H,9,10);
InChIKeyWCKMHFJYVFBQKB-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze CID 173230624 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

cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid
CID 66625513
4-(4-methylcyclohexyl)sulfonylcyclohexane-1-carboxylic acid
CID 131877741
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
3,6-dimethylcycloheptane-1-carboxylic acid
CID 59898167
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79532071
cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638
ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 145196204
cyclohexane-1,4-dicarboxylic acid;prop-1-ene
CID 70631081
3-methylcyclobutane-1-carboxylic acid
CID 3044406

Frequently Asked Questions

What is the IUPAC name of CID 173230624?
The IUPAC name of CID 173230624 (CID 173230624) is not available.
What is the SMILES notation for CID 173230624?
The canonical SMILES for CID 173230624 is CC1CCC(C(=O)O)CC1.[Tl].
What is the InChIKey of CID 173230624?
The InChIKey is WCKMHFJYVFBQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.Tl/c1-6-2-4-7(5-3-6)8(9)10;/h6-7H,2-5H2,1H3,(H,9,10);.
What are the key properties of CID 173230624?
CID 173230624 has a molecular weight of 346.58 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173230624 is sourced from PubChem (CID 173230624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).