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

C6H10O4 — CID 10909699

IUPAC2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
SMILESCC1(C)OCC(C(=O)O)O1
InChIInChI=1S/C6H10O4/c1-6(2)9-3-4(10-6)5(7)8/h4H,3H2,1-2H3,(H,7,8)
InChIKeyOZPFVBLDYBXHAF-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.22
Rot. Bonds1

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

2,2-dimethyl-1,3-dioxolane-4-carboxylic acid (PubChem CID 10909699) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
PubChem CID10909699
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
SMILESCC1(C)OCC(C(=O)O)O1
InChIInChI=1S/C6H10O4/c1-6(2)9-3-4(10-6)5(7)8/h4H,3H2,1-2H3,(H,7,8)
InChIKeyOZPFVBLDYBXHAF-UHFFFAOYSA-N
XLogP0.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 853166
Methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 853165
(S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
CID 641720
2,3-Dimethoxypropanoic acid
CID 11217278
potassium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 23678351
2-Methyl-1,3-Dioxolane-2-Carboxylic Acid
CID 298859
2-((4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
CID 10844960
2,2,4,5-Tetramethyl-1,3-dioxolane-4-carboxylic acid
CID 14530204
sodium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate
CID 23682088
3-Ethoxy-2-methoxy-3-oxopropanoic acid
CID 53642934
Tetramethyl-1,3-dioxolane-4-carboxylic acid
CID 67255291
2,2,5-Trimethyl-1,3-dioxolane-4-carboxylic acid
CID 315257

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
The IUPAC name of 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid (CID 10909699) is 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid is CC1(C)OCC(C(=O)O)O1.
What is the InChIKey of 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
The InChIKey is OZPFVBLDYBXHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-6(2)9-3-4(10-6)5(7)8/h4H,3H2,1-2H3,(H,7,8).
What are the key properties of 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid has a molecular weight of 146.14 g/mol, XLogP of 0.22, 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 is sourced from PubChem (CID 10909699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).