5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid

C13H24O2 — CID 134223782

IUPAC5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid
SMILESCC(C)CC1CCC(C)(C)CC1C(=O)O
InChIInChI=1S/C13H24O2/c1-9(2)7-10-5-6-13(3,4)8-11(10)12(14)15/h9-11H,5-8H2,1-4H3,(H,14,15)
InChIKeyZADDRNDQIRQEAK-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.56
Rot. Bonds3

About 5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid

5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid (PubChem CID 134223782) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid
PubChem CID134223782
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid
SMILESCC(C)CC1CCC(C)(C)CC1C(=O)O
InChIInChI=1S/C13H24O2/c1-9(2)7-10-5-6-13(3,4)8-11(10)12(14)15/h9-11H,5-8H2,1-4H3,(H,14,15)
InChIKeyZADDRNDQIRQEAK-UHFFFAOYSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid (CID 134223782) is 5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid is CC(C)CC1CCC(C)(C)CC1C(=O)O.
What is the InChIKey of 5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid?
The InChIKey is ZADDRNDQIRQEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-9(2)7-10-5-6-13(3,4)8-11(10)12(14)15/h9-11H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid?
5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid has a molecular weight of 212.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 134223782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).