2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylic acid

C8H14O4 — CID 67255291

IUPAC2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylic acid
SMILESCC1(C)OC(C(=O)O)C(C)(C)O1
InChIInChI=1S/C8H14O4/c1-7(2)5(6(9)10)11-8(3,4)12-7/h5H,1-4H3,(H,9,10)
InChIKeyDJEUAAXKJCIEQT-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.00
Rot. Bonds1

About 2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylic acid

2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylic acid (PubChem CID 67255291) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylic acid.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylic acid
PubChem CID67255291
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylic acid
SMILESCC1(C)OC(C(=O)O)C(C)(C)O1
InChIInChI=1S/C8H14O4/c1-7(2)5(6(9)10)11-8(3,4)12-7/h5H,1-4H3,(H,9,10)
InChIKeyDJEUAAXKJCIEQT-UHFFFAOYSA-N
XLogP1.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylic acid?
The IUPAC name of 2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylic acid (CID 67255291) is 2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylic acid.
What is the SMILES notation for 2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylic acid?
The canonical SMILES for 2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylic acid is CC1(C)OC(C(=O)O)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylic acid?
The InChIKey is DJEUAAXKJCIEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-7(2)5(6(9)10)11-8(3,4)12-7/h5H,1-4H3,(H,9,10).
What are the key properties of 2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylic acid?
2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylic acid has a molecular weight of 174.20 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylic acid is sourced from PubChem (CID 67255291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).