2,2,6,6-tetramethylcyclohexane-1-carboxylic acid

C11H20O2 — CID 12772259

IUPAC2,2,6,6-tetramethylcyclohexane-1-carboxylic acid
SMILESCC1(C)CCCC(C)(C)C1C(=O)O
InChIInChI=1S/C11H20O2/c1-10(2)6-5-7-11(3,4)8(10)9(12)13/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyXLGUQUPTNAELKF-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.92
Rot. Bonds1

About 2,2,6,6-tetramethylcyclohexane-1-carboxylic acid

2,2,6,6-tetramethylcyclohexane-1-carboxylic acid (PubChem CID 12772259) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,2,6,6-tetramethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,6,6-tetramethylcyclohexane-1-carboxylic acid
PubChem CID12772259
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2,2,6,6-tetramethylcyclohexane-1-carboxylic acid
SMILESCC1(C)CCCC(C)(C)C1C(=O)O
InChIInChI=1S/C11H20O2/c1-10(2)6-5-7-11(3,4)8(10)9(12)13/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyXLGUQUPTNAELKF-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethylcyclohexane-1-carboxylic acid?
The IUPAC name of 2,2,6,6-tetramethylcyclohexane-1-carboxylic acid (CID 12772259) is 2,2,6,6-tetramethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,2,6,6-tetramethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2,2,6,6-tetramethylcyclohexane-1-carboxylic acid is CC1(C)CCCC(C)(C)C1C(=O)O.
What is the InChIKey of 2,2,6,6-tetramethylcyclohexane-1-carboxylic acid?
The InChIKey is XLGUQUPTNAELKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)6-5-7-11(3,4)8(10)9(12)13/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2,2,6,6-tetramethylcyclohexane-1-carboxylic acid?
2,2,6,6-tetramethylcyclohexane-1-carboxylic acid has a molecular weight of 184.28 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 12772259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).