2-cyclopentyl-2-(4-methylphenyl)hexanoic acid

C18H26O2 — CID 123343946

IUPAC2-cyclopentyl-2-(4-methylphenyl)hexanoic acid
SMILESCCCCC(C(=O)O)(c1ccc(C)cc1)C1CCCC1
InChIInChI=1S/C18H26O2/c1-3-4-13-18(17(19)20,15-7-5-6-8-15)16-11-9-14(2)10-12-16/h9-12,15H,3-8,13H2,1-2H3,(H,19,20)
InChIKeyRJEBCJLFUYQHNL-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.70
Rot. Bonds6

About 2-cyclopentyl-2-(4-methylphenyl)hexanoic acid

2-cyclopentyl-2-(4-methylphenyl)hexanoic acid (PubChem CID 123343946) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-cyclopentyl-2-(4-methylphenyl)hexanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-(4-methylphenyl)hexanoic acid
PubChem CID123343946
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-cyclopentyl-2-(4-methylphenyl)hexanoic acid
SMILESCCCCC(C(=O)O)(c1ccc(C)cc1)C1CCCC1
InChIInChI=1S/C18H26O2/c1-3-4-13-18(17(19)20,15-7-5-6-8-15)16-11-9-14(2)10-12-16/h9-12,15H,3-8,13H2,1-2H3,(H,19,20)
InChIKeyRJEBCJLFUYQHNL-UHFFFAOYSA-N
XLogP4.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-2-cyclopropyl-2-(4-methylphenyl)propanoic acid
CID 106509266
tert-butylbenzene;tert-butylcyclopentane;1-tert-butyl-4-methylbenzene;2,2-dimethylhexane;2,2,3,3-tetramethylbutane
CID 158955573
2-cyclopentyl-2-dimethylsilylhexanoic acid
CID 151529268
2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid
CID 60998424
ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate
CID 68952925
2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid
CID 106509238
2-(aminomethyl)-2-(4-methylphenyl)octanoic acid
CID 106509248
3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid
CID 106490917
2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid
CID 5151318
2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride
CID 142429224
(2R)-3-cyclobutyl-2-ethyl-3-(4-methylphenyl)octanal;ethane;1,4-xylene
CID 142054722
4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one
CID 10266085

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(4-methylphenyl)hexanoic acid?
The IUPAC name of 2-cyclopentyl-2-(4-methylphenyl)hexanoic acid (CID 123343946) is 2-cyclopentyl-2-(4-methylphenyl)hexanoic acid.
What is the SMILES notation for 2-cyclopentyl-2-(4-methylphenyl)hexanoic acid?
The canonical SMILES for 2-cyclopentyl-2-(4-methylphenyl)hexanoic acid is CCCCC(C(=O)O)(c1ccc(C)cc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(4-methylphenyl)hexanoic acid?
The InChIKey is RJEBCJLFUYQHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-3-4-13-18(17(19)20,15-7-5-6-8-15)16-11-9-14(2)10-12-16/h9-12,15H,3-8,13H2,1-2H3,(H,19,20).
What are the key properties of 2-cyclopentyl-2-(4-methylphenyl)hexanoic acid?
2-cyclopentyl-2-(4-methylphenyl)hexanoic acid has a molecular weight of 274.40 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(4-methylphenyl)hexanoic acid is sourced from PubChem (CID 123343946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).