2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride

C6H11ClO4 — CID 69349368

IUPAC2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride
SMILESCC1(C)OCC(C(=O)O)O1.Cl
InChIInChI=1S/C6H10O4.ClH/c1-6(2)9-3-4(10-6)5(7)8;/h4H,3H2,1-2H3,(H,7,8);1H
InChIKeyZLFPIPJBVGYOLA-UHFFFAOYSA-N
MW182.60 g/mol
LogP0.64
Rot. Bonds1

About 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride

2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride (PubChem CID 69349368) has the molecular formula C6H11ClO4 and a molecular weight of 182.60 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride
PubChem CID69349368
Molecular FormulaC6H11ClO4
Molecular Weight182.60 g/mol
Exact Mass182.03
IUPAC Name2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride
SMILESCC1(C)OCC(C(=O)O)O1.Cl
InChIInChI=1S/C6H10O4.ClH/c1-6(2)9-3-4(10-6)5(7)8;/h4H,3H2,1-2H3,(H,7,8);1H
InChIKeyZLFPIPJBVGYOLA-UHFFFAOYSA-N
XLogP0.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.60
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10909699
potassium;(4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydride
CID 173083628
(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylbut-2-enoic acid
CID 68635756
methyl 2,2-dimethyl-(4,5-13C2)1,3-dioxolane-4-carboxylate
CID 169439042
2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6-carboxylic acid
CID 142006736
1,3-dioxolane-2,2,4-tricarboxylic acid
CID 19591540
2-methyl-2-(trifluoromethyl)-1,3-dioxolane-4-carboxylic acid
CID 130020923
(2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethanone
CID 11276964
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutan-1-one
CID 130410565
(E)-3-(dimethylamino)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-one
CID 59177998
(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxane-4-carboxylic acid
CID 126712187
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-2-yn-1-one
CID 21178118

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride?
The IUPAC name of 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride (CID 69349368) is 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride is CC1(C)OCC(C(=O)O)O1.Cl.
What is the InChIKey of 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride?
The InChIKey is ZLFPIPJBVGYOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.ClH/c1-6(2)9-3-4(10-6)5(7)8;/h4H,3H2,1-2H3,(H,7,8);1H.
What are the key properties of 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride?
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride has a molecular weight of 182.60 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 69349368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).