3-(2-octylcyclopentyl)propanoic acid

C16H30O2 — CID 57357948

IUPAC3-(2-octylcyclopentyl)propanoic acid
SMILESCCCCCCCCC1CCCC1CCC(=O)O
InChIInChI=1S/C16H30O2/c1-2-3-4-5-6-7-9-14-10-8-11-15(14)12-13-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)
InChIKeyLVXBMUBVKVMDOC-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.02
Rot. Bonds10

About 3-(2-octylcyclopentyl)propanoic acid

3-(2-octylcyclopentyl)propanoic acid (PubChem CID 57357948) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 3-(2-octylcyclopentyl)propanoic acid.

Molecular Properties

Compound Name3-(2-octylcyclopentyl)propanoic acid
PubChem CID57357948
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name3-(2-octylcyclopentyl)propanoic acid
SMILESCCCCCCCCC1CCCC1CCC(=O)O
InChIInChI=1S/C16H30O2/c1-2-3-4-5-6-7-9-14-10-8-11-15(14)12-13-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)
InChIKeyLVXBMUBVKVMDOC-UHFFFAOYSA-N
XLogP5.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
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'}

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Related Compounds

3-(2-heptylcyclopropyl)propanoic acid
CID 75293982
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
2-[4-[(1R,2S)-2-octylcyclopentyl]butoxy]acetic acid
CID 22791217
7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid
CID 22788958
7-[(1S,2R)-2-(4,4-dimethyloctyl)cyclopentyl]heptanoic acid
CID 18594595
10-(2-butylcyclopentyl)decan-2-one
CID 71171350
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320
formic acid;1-heptyl-2-octylcyclopentane;methane
CID 158445851
7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid
CID 10041163
8-[3-(7-carboxyheptyl)-4-hexyl-2-octylcyclohexyl]octanoic acid
CID 58224535

Frequently Asked Questions

What is the IUPAC name of 3-(2-octylcyclopentyl)propanoic acid?
The IUPAC name of 3-(2-octylcyclopentyl)propanoic acid (CID 57357948) is 3-(2-octylcyclopentyl)propanoic acid.
What is the SMILES notation for 3-(2-octylcyclopentyl)propanoic acid?
The canonical SMILES for 3-(2-octylcyclopentyl)propanoic acid is CCCCCCCCC1CCCC1CCC(=O)O.
What is the InChIKey of 3-(2-octylcyclopentyl)propanoic acid?
The InChIKey is LVXBMUBVKVMDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-2-3-4-5-6-7-9-14-10-8-11-15(14)12-13-16(17)18/h14-15H,2-13H2,1H3,(H,17,18).
What are the key properties of 3-(2-octylcyclopentyl)propanoic acid?
3-(2-octylcyclopentyl)propanoic acid has a molecular weight of 254.41 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-octylcyclopentyl)propanoic acid is sourced from PubChem (CID 57357948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).