2-methyl-2-(3,3,5-trimethylcyclohexyl)propanoic acid

C13H24O2 — CID 68802925

IUPAC2-methyl-2-(3,3,5-trimethylcyclohexyl)propanoic acid
SMILESCC1CC(C(C)(C)C(=O)O)CC(C)(C)C1
InChIInChI=1S/C13H24O2/c1-9-6-10(8-12(2,3)7-9)13(4,5)11(14)15/h9-10H,6-8H2,1-5H3,(H,14,15)
InChIKeyRQQQOHAHDNFJSU-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.56
Rot. Bonds2

About 2-methyl-2-(3,3,5-trimethylcyclohexyl)propanoic acid

2-methyl-2-(3,3,5-trimethylcyclohexyl)propanoic acid (PubChem CID 68802925) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-methyl-2-(3,3,5-trimethylcyclohexyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3,3,5-trimethylcyclohexyl)propanoic acid
PubChem CID68802925
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-methyl-2-(3,3,5-trimethylcyclohexyl)propanoic acid
SMILESCC1CC(C(C)(C)C(=O)O)CC(C)(C)C1
InChIInChI=1S/C13H24O2/c1-9-6-10(8-12(2,3)7-9)13(4,5)11(14)15/h9-10H,6-8H2,1-5H3,(H,14,15)
InChIKeyRQQQOHAHDNFJSU-UHFFFAOYSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 2-methyl-2-(3,3,5-trimethylcyclohexyl)propanoic acid?
The IUPAC name of 2-methyl-2-(3,3,5-trimethylcyclohexyl)propanoic acid (CID 68802925) is 2-methyl-2-(3,3,5-trimethylcyclohexyl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(3,3,5-trimethylcyclohexyl)propanoic acid?
The canonical SMILES for 2-methyl-2-(3,3,5-trimethylcyclohexyl)propanoic acid is CC1CC(C(C)(C)C(=O)O)CC(C)(C)C1.
What is the InChIKey of 2-methyl-2-(3,3,5-trimethylcyclohexyl)propanoic acid?
The InChIKey is RQQQOHAHDNFJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-9-6-10(8-12(2,3)7-9)13(4,5)11(14)15/h9-10H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 2-methyl-2-(3,3,5-trimethylcyclohexyl)propanoic acid?
2-methyl-2-(3,3,5-trimethylcyclohexyl)propanoic acid has a molecular weight of 212.33 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3,3,5-trimethylcyclohexyl)propanoic acid is sourced from PubChem (CID 68802925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).