oxolane-2,2-dicarboxylic acid;hydrochloride

C6H9ClO5 — CID 69015616

IUPACoxolane-2,2-dicarboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(C(=O)O)CCCO1
InChIInChI=1S/C6H8O5.ClH/c7-4(8)6(5(9)10)2-1-3-11-6;/h1-3H2,(H,7,8)(H,9,10);1H
InChIKeyXHZKSTOMPYQZRJ-UHFFFAOYSA-N
MW196.59 g/mol
LogP0.13
Rot. Bonds2

About oxolane-2,2-dicarboxylic acid;hydrochloride

oxolane-2,2-dicarboxylic acid;hydrochloride (PubChem CID 69015616) has the molecular formula C6H9ClO5 and a molecular weight of 196.59 g/mol. Its IUPAC name is oxolane-2,2-dicarboxylic acid;hydrochloride.

Molecular Properties

Compound Nameoxolane-2,2-dicarboxylic acid;hydrochloride
PubChem CID69015616
Molecular FormulaC6H9ClO5
Molecular Weight196.59 g/mol
Exact Mass196.01
IUPAC Nameoxolane-2,2-dicarboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(C(=O)O)CCCO1
InChIInChI=1S/C6H8O5.ClH/c7-4(8)6(5(9)10)2-1-3-11-6;/h1-3H2,(H,7,8)(H,9,10);1H
InChIKeyXHZKSTOMPYQZRJ-UHFFFAOYSA-N
XLogP0.13
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dihydroisoindole-2-carbonyl)oxolane-2-carboxylic acid
CID 167838393
2-[(3-hydroxy-2,4-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 170359400
2-formamidooxolane-2-carboxylic acid
CID 142369386
2-formyloxane-2-carboxylic acid
CID 141434966
2-(furan-2-yl)oxolane-2-carboxylic acid
CID 178200785
5-oxaspiro[3.4]octane-2-carboxylic acid
CID 56962178
2-carbamoyl-1,4-dioxane-2-carboxylic acid
CID 175257803
methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid
CID 161258796
(2R)-2-methyloxetane-2-carboxylic acid
CID 97031044
cyclotritriacontane-1,1,12,12,23,23-hexacarboxylic acid
CID 132573281
1-(1-hydroxycyclopropyl)cyclopropane-1-carboxylic acid
CID 130756659
cyclooctane-1,1-dicarboxylic acid
CID 18521139

Frequently Asked Questions

What is the IUPAC name of oxolane-2,2-dicarboxylic acid;hydrochloride?
The IUPAC name of oxolane-2,2-dicarboxylic acid;hydrochloride (CID 69015616) is oxolane-2,2-dicarboxylic acid;hydrochloride.
What is the SMILES notation for oxolane-2,2-dicarboxylic acid;hydrochloride?
The canonical SMILES for oxolane-2,2-dicarboxylic acid;hydrochloride is Cl.O=C(O)C1(C(=O)O)CCCO1.
What is the InChIKey of oxolane-2,2-dicarboxylic acid;hydrochloride?
The InChIKey is XHZKSTOMPYQZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5.ClH/c7-4(8)6(5(9)10)2-1-3-11-6;/h1-3H2,(H,7,8)(H,9,10);1H.
What are the key properties of oxolane-2,2-dicarboxylic acid;hydrochloride?
oxolane-2,2-dicarboxylic acid;hydrochloride has a molecular weight of 196.59 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane-2,2-dicarboxylic acid;hydrochloride is sourced from PubChem (CID 69015616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).