4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid

C10H18O3 — CID 118911768

IUPAC4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid
SMILESCOC1(C)CCC(C(=O)O)C(C)C1
InChIInChI=1S/C10H18O3/c1-7-6-10(2,13-3)5-4-8(7)9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyGXBRUALIIPHJER-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.91
Rot. Bonds2

About 4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid

4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid (PubChem CID 118911768) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid
PubChem CID118911768
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid
SMILESCOC1(C)CCC(C(=O)O)C(C)C1
InChIInChI=1S/C10H18O3/c1-7-6-10(2,13-3)5-4-8(7)9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyGXBRUALIIPHJER-UHFFFAOYSA-N
XLogP1.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid (CID 118911768) is 4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid is COC1(C)CCC(C(=O)O)C(C)C1.
What is the InChIKey of 4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid?
The InChIKey is GXBRUALIIPHJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7-6-10(2,13-3)5-4-8(7)9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid?
4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 118911768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).