1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride

C9H15ClO4 — CID 159985709

IUPAC1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride
SMILESCC1(C(=O)O)CCCCC1C(=O)O.Cl
InChIInChI=1S/C9H14O4.ClH/c1-9(8(12)13)5-3-2-4-6(9)7(10)11;/h6H,2-5H2,1H3,(H,10,11)(H,12,13);1H
InChIKeyOGHSDTXMMKFRKD-UHFFFAOYSA-N
MW222.67 g/mol
LogP1.77
Rot. Bonds2

About 1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride

1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride (PubChem CID 159985709) has the molecular formula C9H15ClO4 and a molecular weight of 222.67 g/mol. Its IUPAC name is 1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride
PubChem CID159985709
Molecular FormulaC9H15ClO4
Molecular Weight222.67 g/mol
Exact Mass222.07
IUPAC Name1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride
SMILESCC1(C(=O)O)CCCCC1C(=O)O.Cl
InChIInChI=1S/C9H14O4.ClH/c1-9(8(12)13)5-3-2-4-6(9)7(10)11;/h6H,2-5H2,1H3,(H,10,11)(H,12,13);1H
InChIKeyOGHSDTXMMKFRKD-UHFFFAOYSA-N
XLogP1.77
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-methylcyclohexane-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

Related Compounds

methane;1-methylcyclohexane-1,2-dicarboxylic acid
CID 173225702
2-(2-hydroxyethoxy)ethanol;1-methylcyclohexane-1,2-dicarboxylic acid
CID 70501702
2-carbamoyl-1-methylcyclohexane-1-carboxylic acid
CID 151708609
2-benzoyl-2-methylcyclohexane-1-carboxylic acid
CID 13054540
2-benzoyl-1-methylcyclohexane-1-carboxylic acid
CID 13054541
(2S)-2-amino-1-methylcyclohexane-1-carboxylic acid
CID 67285208
trans-(1S,2R)-2-amino-1-methylcycloheptane-1-carboxylic acid
CID 67314910
2-amino-1-methylcycloheptane-1-carboxylic acid
CID 67314913
trans-(1R,2R)-2-methyl-2-(2-methylbutoxycarbonyl)cyclohexane-1-carboxylic acid
CID 175835698
1-methyl-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylic acid
CID 54542229
spiro[5.6]dodecane-12-carboxylic acid
CID 59513338
2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]-1-methylcyclohexane-1-carboxylic acid
CID 57090701

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride?
The IUPAC name of 1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride (CID 159985709) is 1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride.
What is the SMILES notation for 1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride?
The canonical SMILES for 1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride is CC1(C(=O)O)CCCCC1C(=O)O.Cl.
What is the InChIKey of 1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride?
The InChIKey is OGHSDTXMMKFRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4.ClH/c1-9(8(12)13)5-3-2-4-6(9)7(10)11;/h6H,2-5H2,1H3,(H,10,11)(H,12,13);1H.
What are the key properties of 1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride?
1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride has a molecular weight of 222.67 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride is sourced from PubChem (CID 159985709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).