2-(4-ethylcyclohexyl)-2-methylpropanoic acid

C12H22O2 — CID 79425343

IUPAC2-(4-ethylcyclohexyl)-2-methylpropanoic acid
SMILESCCC1CCC(C(C)(C)C(=O)O)CC1
InChIInChI=1S/C12H22O2/c1-4-9-5-7-10(8-6-9)12(2,3)11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyGVOVHLANEPEZNO-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.31
Rot. Bonds3

About 2-(4-ethylcyclohexyl)-2-methylpropanoic acid

2-(4-ethylcyclohexyl)-2-methylpropanoic acid (PubChem CID 79425343) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-2-methylpropanoic acid
PubChem CID79425343
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(4-ethylcyclohexyl)-2-methylpropanoic acid
SMILESCCC1CCC(C(C)(C)C(=O)O)CC1
InChIInChI=1S/C12H22O2/c1-4-9-5-7-10(8-6-9)12(2,3)11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyGVOVHLANEPEZNO-UHFFFAOYSA-N
XLogP3.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-(4-ethylcyclohexyl)butanoic acid
CID 79426228
3-(4-ethylcyclohexyl)-3-methylbutanoic acid
CID 81004196
acetic acid;ethylcyclopropane
CID 175213909
2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid
CID 84736757
3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid
CID 79623531
2-aminoacetic acid;ethylcyclopropane
CID 144543522
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 163450163
3-(4-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821371
tert-butyl hydrogen carbonate;ethylcycloheptane
CID 175418399
3-(4-ethylazepan-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821966

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-ethylcyclohexyl)-2-methylpropanoic acid (CID 79425343) is 2-(4-ethylcyclohexyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-ethylcyclohexyl)-2-methylpropanoic acid is CCC1CCC(C(C)(C)C(=O)O)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-2-methylpropanoic acid?
The InChIKey is GVOVHLANEPEZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-9-5-7-10(8-6-9)12(2,3)11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-ethylcyclohexyl)-2-methylpropanoic acid?
2-(4-ethylcyclohexyl)-2-methylpropanoic acid has a molecular weight of 198.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-2-methylpropanoic acid is sourced from PubChem (CID 79425343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).