2,2,5,6-tetramethylspiro[2.3]hexane-1-carboxylic acid

C11H18O2 — CID 130703872

IUPAC2,2,5,6-tetramethylspiro[2.3]hexane-1-carboxylic acid
SMILESCC1CC2(C1C)C(C(=O)O)C2(C)C
InChIInChI=1S/C11H18O2/c1-6-5-11(7(6)2)8(9(12)13)10(11,3)4/h6-8H,5H2,1-4H3,(H,12,13)
InChIKeyXQLAJICXXMQVIF-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.39
Rot. Bonds1

About 2,2,5,6-tetramethylspiro[2.3]hexane-1-carboxylic acid

2,2,5,6-tetramethylspiro[2.3]hexane-1-carboxylic acid (PubChem CID 130703872) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2,2,5,6-tetramethylspiro[2.3]hexane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,5,6-tetramethylspiro[2.3]hexane-1-carboxylic acid
PubChem CID130703872
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2,2,5,6-tetramethylspiro[2.3]hexane-1-carboxylic acid
SMILESCC1CC2(C1C)C(C(=O)O)C2(C)C
InChIInChI=1S/C11H18O2/c1-6-5-11(7(6)2)8(9(12)13)10(11,3)4/h6-8H,5H2,1-4H3,(H,12,13)
InChIKeyXQLAJICXXMQVIF-UHFFFAOYSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,5,6-tetramethylspiro[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

1,2,3,4-tetramethylcyclobutane-1,2-dicarboxylic acid
CID 130020433
2,2-dimethylspiro[2.4]heptane-1-carboxylic acid
CID 20531773
1,2-dimethylcyclobutane-1,3-dicarboxylic acid
CID 155059571
cis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid
CID 55301010
trans-(1S,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid
CID 70465845
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
1,2,3-trimethylcyclobutane-1,2-dicarboxylic acid
CID 20525202
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705
(1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid
CID 101073122
3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 161059263
benzene;2,2-dimethylcyclopropane-1-carboxylic acid
CID 144977859

Frequently Asked Questions

What is the IUPAC name of 2,2,5,6-tetramethylspiro[2.3]hexane-1-carboxylic acid?
The IUPAC name of 2,2,5,6-tetramethylspiro[2.3]hexane-1-carboxylic acid (CID 130703872) is 2,2,5,6-tetramethylspiro[2.3]hexane-1-carboxylic acid.
What is the SMILES notation for 2,2,5,6-tetramethylspiro[2.3]hexane-1-carboxylic acid?
The canonical SMILES for 2,2,5,6-tetramethylspiro[2.3]hexane-1-carboxylic acid is CC1CC2(C1C)C(C(=O)O)C2(C)C.
What is the InChIKey of 2,2,5,6-tetramethylspiro[2.3]hexane-1-carboxylic acid?
The InChIKey is XQLAJICXXMQVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-6-5-11(7(6)2)8(9(12)13)10(11,3)4/h6-8H,5H2,1-4H3,(H,12,13).
What are the key properties of 2,2,5,6-tetramethylspiro[2.3]hexane-1-carboxylic acid?
2,2,5,6-tetramethylspiro[2.3]hexane-1-carboxylic acid has a molecular weight of 182.26 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,6-tetramethylspiro[2.3]hexane-1-carboxylic acid is sourced from PubChem (CID 130703872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).