2-chloro-14-cyclohexyltetradecanoic acid

C20H37ClO2 — CID 174341935

IUPAC2-chloro-14-cyclohexyltetradecanoic acid
SMILESO=C(O)C(Cl)CCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C20H37ClO2/c21-19(20(22)23)17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h18-19H,1-17H2,(H,22,23)
InChIKeyUICSKTZULZHEBP-UHFFFAOYSA-N
MW344.97 g/mol
LogP6.94
Rot. Bonds14

About 2-chloro-14-cyclohexyltetradecanoic acid

2-chloro-14-cyclohexyltetradecanoic acid (PubChem CID 174341935) has the molecular formula C20H37ClO2 and a molecular weight of 344.97 g/mol. Its IUPAC name is 2-chloro-14-cyclohexyltetradecanoic acid.

Molecular Properties

Compound Name2-chloro-14-cyclohexyltetradecanoic acid
PubChem CID174341935
Molecular FormulaC20H37ClO2
Molecular Weight344.97 g/mol
Exact Mass344.25
IUPAC Name2-chloro-14-cyclohexyltetradecanoic acid
SMILESO=C(O)C(Cl)CCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C20H37ClO2/c21-19(20(22)23)17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h18-19H,1-17H2,(H,22,23)
InChIKeyUICSKTZULZHEBP-UHFFFAOYSA-N
XLogP6.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.97
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-14-cyclohexyltetradecanoic acid 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

(2R)-11-cycloheptyl-2-hydroxyundecanoic acid
CID 101288409
8-cyclohexyl-3-hydroxyoctanoic acid
CID 123754175
(2R)-2-chloro-3-cyclohexylpropanoic acid
CID 86657609
7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid
CID 22665106
(2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid
CID 57350778
4-cyclopentylbutylcyclohexane
CID 144547696
2-(2-cyclopentylethyl)propanedioic acid
CID 23186368
18-cyclohexyloctadecanamide
CID 70490920

Frequently Asked Questions

What is the IUPAC name of 2-chloro-14-cyclohexyltetradecanoic acid?
The IUPAC name of 2-chloro-14-cyclohexyltetradecanoic acid (CID 174341935) is 2-chloro-14-cyclohexyltetradecanoic acid.
What is the SMILES notation for 2-chloro-14-cyclohexyltetradecanoic acid?
The canonical SMILES for 2-chloro-14-cyclohexyltetradecanoic acid is O=C(O)C(Cl)CCCCCCCCCCCCC1CCCCC1.
What is the InChIKey of 2-chloro-14-cyclohexyltetradecanoic acid?
The InChIKey is UICSKTZULZHEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37ClO2/c21-19(20(22)23)17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h18-19H,1-17H2,(H,22,23).
What are the key properties of 2-chloro-14-cyclohexyltetradecanoic acid?
2-chloro-14-cyclohexyltetradecanoic acid has a molecular weight of 344.97 g/mol, XLogP of 6.94, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-14-cyclohexyltetradecanoic acid is sourced from PubChem (CID 174341935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).