trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride

C8H13ClO4 — CID 70535628

IUPACtrans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C8H12O4.ClH/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h5-6H,1-4H2,(H,9,10)(H,11,12);1H/t5-,6-;/m1./s1
InChIKeyTZWWCRSQXCXQBV-KGZKBUQUSA-N
MW208.64 g/mol
LogP1.38
Rot. Bonds2

About trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride

trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride (PubChem CID 70535628) has the molecular formula C8H13ClO4 and a molecular weight of 208.64 g/mol. Its IUPAC name is trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
PubChem CID70535628
Molecular FormulaC8H13ClO4
Molecular Weight208.64 g/mol
Exact Mass208.05
IUPAC Nametrans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C8H12O4.ClH/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h5-6H,1-4H2,(H,9,10)(H,11,12);1H/t5-,6-;/m1./s1
InChIKeyTZWWCRSQXCXQBV-KGZKBUQUSA-N
XLogP1.38
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride 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-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride?
The IUPAC name of trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride (CID 70535628) is trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride?
The canonical SMILES for trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1CCCC[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride?
The InChIKey is TZWWCRSQXCXQBV-KGZKBUQUSA-N. The full InChI is InChI=1S/C8H12O4.ClH/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h5-6H,1-4H2,(H,9,10)(H,11,12);1H/t5-,6-;/m1./s1.
What are the key properties of trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride?
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride has a molecular weight of 208.64 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride is sourced from PubChem (CID 70535628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).