5-Ethoxyspiro[2.3]hexane-1-carboxylic acid

C9H14O3 — CID 106823962

IUPAC5-ethoxyspiro[2.3]hexane-2-carboxylic acid
SMILESCCOC1CC2(C1)CC2C(=O)O
InChIInChI=1S/C9H14O3/c1-2-12-6-3-9(4-6)5-7(9)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyJXHHGQSEZADPBM-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.80
Rot. Bonds3

About 5-Ethoxyspiro[2.3]hexane-1-carboxylic acid

5-Ethoxyspiro[2.3]hexane-1-carboxylic acid (PubChem CID 106823962) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 5-ethoxyspiro[2.3]hexane-2-carboxylic acid.

Molecular Properties

Compound Name5-Ethoxyspiro[2.3]hexane-1-carboxylic acid
PubChem CID106823962
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name5-ethoxyspiro[2.3]hexane-2-carboxylic acid
SMILESCCOC1CC2(C1)CC2C(=O)O
InChIInChI=1S/C9H14O3/c1-2-12-6-3-9(4-6)5-7(9)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyJXHHGQSEZADPBM-UHFFFAOYSA-N
XLogP0.80
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity206

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-Ethoxyspiro[2.3]hexane-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

Related Compounds

2-(3-Hydroxy-2,2-dimethylcyclobutyl)acetic acid
CID 12651947
5,5-Dimethyl-6-oxaspiro[2.5]octane-1-carboxylic acid
CID 64137839
5-Methyl-6-oxaspiro(2.5)octane-1-carboxylic acid
CID 64138036
5-Hydroxyspiro(2.3)hexane-1-carboxylic acid
CID 82594329
Methyl 5-hydroxyspiro[2.3]hexane-1-carboxylate
CID 131438670
2-(3-(Tert-butoxy)-2,2-dimethylcyclobutyl)acetic acid
CID 136574824
2-(3-Methoxy-2,2-dimethylcyclobutyl)acetic acid
CID 137935575
2-[3-(Tert-butoxy)spiro[3.3]heptan-1-yl]acetic acid
CID 137964421
5-Methoxyspiro[3.3]heptane-2-carboxylic acid
CID 146049404
5-(Tert-butoxy)spiro(2.3)hexane-1-carboxylic acid
CID 146081992
trans-Pinonic acid
CID 20055142
Pinonic acid methyl ester
CID 12651943

Frequently Asked Questions

What is the IUPAC name of 5-Ethoxyspiro[2.3]hexane-1-carboxylic acid?
The IUPAC name of 5-Ethoxyspiro[2.3]hexane-1-carboxylic acid (CID 106823962) is 5-ethoxyspiro[2.3]hexane-2-carboxylic acid.
What is the SMILES notation for 5-Ethoxyspiro[2.3]hexane-1-carboxylic acid?
The canonical SMILES for 5-Ethoxyspiro[2.3]hexane-1-carboxylic acid is CCOC1CC2(C1)CC2C(=O)O.
What is the InChIKey of 5-Ethoxyspiro[2.3]hexane-1-carboxylic acid?
The InChIKey is JXHHGQSEZADPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-12-6-3-9(4-6)5-7(9)8(10)11/h6-7H,2-5H2,1H3,(H,10,11).
What are the key properties of 5-Ethoxyspiro[2.3]hexane-1-carboxylic acid?
5-Ethoxyspiro[2.3]hexane-1-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Ethoxyspiro[2.3]hexane-1-carboxylic acid is sourced from PubChem (CID 106823962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).