5,5-dimethylspiro[2.3]hexane-2-carboxylic acid

C9H14O2 — CID 126970860

IUPAC5,5-dimethylspiro[2.3]hexane-2-carboxylic acid
SMILESCC1(C)CC2(CC2C(=O)O)C1
InChIInChI=1S/C9H14O2/c1-8(2)4-9(5-8)3-6(9)7(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyKUBWZOMYBASVDV-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds1

About 5,5-dimethylspiro[2.3]hexane-2-carboxylic acid

5,5-dimethylspiro[2.3]hexane-2-carboxylic acid (PubChem CID 126970860) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 5,5-dimethylspiro[2.3]hexane-2-carboxylic acid.

Molecular Properties

Compound Name5,5-dimethylspiro[2.3]hexane-2-carboxylic acid
PubChem CID126970860
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name5,5-dimethylspiro[2.3]hexane-2-carboxylic acid
SMILESCC1(C)CC2(CC2C(=O)O)C1
InChIInChI=1S/C9H14O2/c1-8(2)4-9(5-8)3-6(9)7(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyKUBWZOMYBASVDV-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,5-dimethylspiro[2.3]hexane-2-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

Pinic acid
CID 10131
Pinonic acid
CID 10130
(+-)-Pinolic acid
CID 226392
cis-Pinonic acid
CID 239867
2,2-Dimethylcyclobutane-1-carboxylic acid
CID 544657
3-(2,2-Dimethylcyclopropyl)propanoic acid
CID 14545624
2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetic acid
CID 719233
Lyngbioic acid
CID 70698462
Cyclobutanecarboxylic acid, 3-propyl-
CID 47797
Cyclobutanecarboxylic acid, 3-tert-butyl-
CID 47805
Spiropentaneacetic acid
CID 193489
Spiro(2.3)hexane-1-carboxylic Acid
CID 4642003

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylspiro[2.3]hexane-2-carboxylic acid?
The IUPAC name of 5,5-dimethylspiro[2.3]hexane-2-carboxylic acid (CID 126970860) is 5,5-dimethylspiro[2.3]hexane-2-carboxylic acid.
What is the SMILES notation for 5,5-dimethylspiro[2.3]hexane-2-carboxylic acid?
The canonical SMILES for 5,5-dimethylspiro[2.3]hexane-2-carboxylic acid is CC1(C)CC2(CC2C(=O)O)C1.
What is the InChIKey of 5,5-dimethylspiro[2.3]hexane-2-carboxylic acid?
The InChIKey is KUBWZOMYBASVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-8(2)4-9(5-8)3-6(9)7(10)11/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 5,5-dimethylspiro[2.3]hexane-2-carboxylic acid?
5,5-dimethylspiro[2.3]hexane-2-carboxylic acid has a molecular weight of 154.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylspiro[2.3]hexane-2-carboxylic acid is sourced from PubChem (CID 126970860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).