1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid

C11H20O4 — CID 83226491

IUPAC1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid
SMILESCC1CC(C)CC(OCCO)(C(=O)O)C1
InChIInChI=1S/C11H20O4/c1-8-5-9(2)7-11(6-8,10(13)14)15-4-3-12/h8-9,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyLDJBRQSTVDNLLK-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.27
Rot. Bonds4

About 1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid

1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid (PubChem CID 83226491) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid
PubChem CID83226491
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid
SMILESCC1CC(C)CC(OCCO)(C(=O)O)C1
InChIInChI=1S/C11H20O4/c1-8-5-9(2)7-11(6-8,10(13)14)15-4-3-12/h8-9,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyLDJBRQSTVDNLLK-UHFFFAOYSA-N
XLogP1.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid (CID 83226491) is 1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid is CC1CC(C)CC(OCCO)(C(=O)O)C1.
What is the InChIKey of 1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid?
The InChIKey is LDJBRQSTVDNLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-8-5-9(2)7-11(6-8,10(13)14)15-4-3-12/h8-9,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid?
1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid has a molecular weight of 216.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 83226491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).