2-(1-octylcyclopentyl)propanoic acid

C16H30O2 — CID 175475945

IUPAC2-(1-octylcyclopentyl)propanoic acid
SMILESCCCCCCCCC1(C(C)C(=O)O)CCCC1
InChIInChI=1S/C16H30O2/c1-3-4-5-6-7-8-11-16(12-9-10-13-16)14(2)15(17)18/h14H,3-13H2,1-2H3,(H,17,18)
InChIKeyWKGJYUBGAHFNGN-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.02
Rot. Bonds9

About 2-(1-octylcyclopentyl)propanoic acid

2-(1-octylcyclopentyl)propanoic acid (PubChem CID 175475945) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-(1-octylcyclopentyl)propanoic acid.

Molecular Properties

Compound Name2-(1-octylcyclopentyl)propanoic acid
PubChem CID175475945
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-(1-octylcyclopentyl)propanoic acid
SMILESCCCCCCCCC1(C(C)C(=O)O)CCCC1
InChIInChI=1S/C16H30O2/c1-3-4-5-6-7-8-11-16(12-9-10-13-16)14(2)15(17)18/h14H,3-13H2,1-2H3,(H,17,18)
InChIKeyWKGJYUBGAHFNGN-UHFFFAOYSA-N
XLogP5.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1-octylcyclopentyl)propanoic 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

1-(1-hexylcyclopropyl)ethanol
CID 106798180
1-octylcyclononane-1-carboxylic acid
CID 71245674
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
3-[1-(6-carboxyhexyl)cyclopropyl]-2-methylundecanoic acid
CID 54291880
2-(1-tetradecylcyclohexyl)acetic acid
CID 172766747
1-nonylcyclopropane-1-carboxylic acid
CID 54124337
1-(1-butylcyclohexyl)ethyl-hydroxy-oxophosphanium
CID 137351141
3-[1-(3-carboxypropyl)cyclopropyl]-2-methyldecanoic acid
CID 54286015
(1-hexylcyclohexyl)methanol
CID 66024993
1,1-di(nonyl)cyclopentane
CID 154318487
1,1,2,2-tetra(pentadecyl)cyclohexane
CID 175058240
1,1-dihexadecylcyclopentane
CID 141255150

Frequently Asked Questions

What is the IUPAC name of 2-(1-octylcyclopentyl)propanoic acid?
The IUPAC name of 2-(1-octylcyclopentyl)propanoic acid (CID 175475945) is 2-(1-octylcyclopentyl)propanoic acid.
What is the SMILES notation for 2-(1-octylcyclopentyl)propanoic acid?
The canonical SMILES for 2-(1-octylcyclopentyl)propanoic acid is CCCCCCCCC1(C(C)C(=O)O)CCCC1.
What is the InChIKey of 2-(1-octylcyclopentyl)propanoic acid?
The InChIKey is WKGJYUBGAHFNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-4-5-6-7-8-11-16(12-9-10-13-16)14(2)15(17)18/h14H,3-13H2,1-2H3,(H,17,18).
What are the key properties of 2-(1-octylcyclopentyl)propanoic acid?
2-(1-octylcyclopentyl)propanoic acid has a molecular weight of 254.41 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-octylcyclopentyl)propanoic acid is sourced from PubChem (CID 175475945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).