trans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid

C11H20O2 — CID 826083

IUPACtrans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid
SMILESC[C@@H]1C[C@@](C)(C(=O)O)CCC1(C)C
InChIInChI=1S/C11H20O2/c1-8-7-11(4,9(12)13)6-5-10(8,2)3/h8H,5-7H2,1-4H3,(H,12,13)/t8-,11+/m1/s1
InChIKeyCTSCBJOZKTVHGO-KCJUWKMLSA-N
MW184.28 g/mol
LogP2.92
Rot. Bonds1

About trans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid

trans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid (PubChem CID 826083) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is trans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid
PubChem CID826083
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nametrans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid
SMILESC[C@@H]1C[C@@](C)(C(=O)O)CCC1(C)C
InChIInChI=1S/C11H20O2/c1-8-7-11(4,9(12)13)6-5-10(8,2)3/h8H,5-7H2,1-4H3,(H,12,13)/t8-,11+/m1/s1
InChIKeyCTSCBJOZKTVHGO-KCJUWKMLSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze trans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-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 trans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid (CID 826083) is trans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid is C[C@@H]1C[C@@](C)(C(=O)O)CCC1(C)C.
What is the InChIKey of trans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid?
The InChIKey is CTSCBJOZKTVHGO-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-7-11(4,9(12)13)6-5-10(8,2)3/h8H,5-7H2,1-4H3,(H,12,13)/t8-,11+/m1/s1.
What are the key properties of trans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid?
trans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid has a molecular weight of 184.28 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 826083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).