1,2,2-triethylcyclohexane-1-carboxylic acid

C13H24O2 — CID 118982103

IUPAC1,2,2-triethylcyclohexane-1-carboxylic acid
SMILESCCC1(CC)CCCCC1(CC)C(=O)O
InChIInChI=1S/C13H24O2/c1-4-12(5-2)9-7-8-10-13(12,6-3)11(14)15/h4-10H2,1-3H3,(H,14,15)
InChIKeyRIODSOXVJGIBHT-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.85
Rot. Bonds4

About 1,2,2-triethylcyclohexane-1-carboxylic acid

1,2,2-triethylcyclohexane-1-carboxylic acid (PubChem CID 118982103) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1,2,2-triethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1,2,2-triethylcyclohexane-1-carboxylic acid
PubChem CID118982103
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1,2,2-triethylcyclohexane-1-carboxylic acid
SMILESCCC1(CC)CCCCC1(CC)C(=O)O
InChIInChI=1S/C13H24O2/c1-4-12(5-2)9-7-8-10-13(12,6-3)11(14)15/h4-10H2,1-3H3,(H,14,15)
InChIKeyRIODSOXVJGIBHT-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-diethylcyclohexane-1,2-dicarboxylate
CID 58183367
4-ethylspiro[4.5]dec-1-ene-4-carboxylic acid
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1,2-diethyl-2-methylcyclopropane-1-carboxylic acid
CID 21319578
1-(6-methylheptyl)-2-(10-methylundecyl)cyclohexane-1,2-dicarboxylic acid
CID 151307557
(2,2-diethyl-1-phosphanylcyclohexyl)phosphane
CID 174700066
3-[(6R)-6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoic acid
CID 70430703
2-(1-ethylcyclopentyl)-2-oxoacetic acid
CID 66611187
1-[ethyl(dimethyl)silyl]cyclobutane-1-carboxylic acid
CID 140817145
1,2-diethylcyclobutane-1,2-dicarboxylate
CID 22298452
(1S,2S)-1-ethyl-2-propylcyclohex-4-ene-1,2-dicarboxylic acid
CID 146562606
2-ethyl-1-methyl-6-oxabicyclo[3.1.1]heptane-2-carboxylic acid
CID 151770706
1-propylcyclooctane-1-carboxylic acid
CID 80611944

Frequently Asked Questions

What is the IUPAC name of 1,2,2-triethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1,2,2-triethylcyclohexane-1-carboxylic acid (CID 118982103) is 1,2,2-triethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1,2,2-triethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1,2,2-triethylcyclohexane-1-carboxylic acid is CCC1(CC)CCCCC1(CC)C(=O)O.
What is the InChIKey of 1,2,2-triethylcyclohexane-1-carboxylic acid?
The InChIKey is RIODSOXVJGIBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-12(5-2)9-7-8-10-13(12,6-3)11(14)15/h4-10H2,1-3H3,(H,14,15).
What are the key properties of 1,2,2-triethylcyclohexane-1-carboxylic acid?
1,2,2-triethylcyclohexane-1-carboxylic acid has a molecular weight of 212.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-triethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 118982103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).