3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C9H16O3 — CID 13457409

IUPAC3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCOCC1C(C(=O)O)C1(C)C
InChIInChI=1S/C9H16O3/c1-4-12-5-6-7(8(10)11)9(6,2)3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyZYCNNLMLXZQOJC-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.38
Rot. Bonds4

About 3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 13457409) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID13457409
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCOCC1C(C(=O)O)C1(C)C
InChIInChI=1S/C9H16O3/c1-4-12-5-6-7(8(10)11)9(6,2)3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyZYCNNLMLXZQOJC-UHFFFAOYSA-N
XLogP1.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 13457409) is 3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CCOCC1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is ZYCNNLMLXZQOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-4-12-5-6-7(8(10)11)9(6,2)3/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 172.22 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 13457409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).