2-ethyl-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid

C8H12O6 — CID 170549993

IUPAC2-ethyl-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid
SMILESCCC1(C)OC(C(=O)O)C(C(=O)O)O1
InChIInChI=1S/C8H12O6/c1-3-8(2)13-4(6(9)10)5(14-8)7(11)12/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyRPGGSFYWLSHNQN-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.07
Rot. Bonds3

About 2-ethyl-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid

2-ethyl-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid (PubChem CID 170549993) has the molecular formula C8H12O6 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-ethyl-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid.

Molecular Properties

Compound Name2-ethyl-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid
PubChem CID170549993
Molecular FormulaC8H12O6
Molecular Weight204.18 g/mol
Exact Mass204.06
IUPAC Name2-ethyl-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid
SMILESCCC1(C)OC(C(=O)O)C(C(=O)O)O1
InChIInChI=1S/C8H12O6/c1-3-8(2)13-4(6(9)10)5(14-8)7(11)12/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyRPGGSFYWLSHNQN-UHFFFAOYSA-N
XLogP0.07
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5R)-2-ethoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid
CID 45093859
(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10583365
2,2-dimethyl-5-(methylcarbamoyl)-1,3-dioxolane-4-carboxylic acid
CID 59983974
(4S,5S)-5-(iodomethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 11601660
1-ethyl-5-hydroxy-4-methoxy-2,7-dioxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 129095012
(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxolane-4-carboxylic acid
CID 122670301
4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methylidenebutanoic acid
CID 90355809
(2-ethyl-2-methyl-1,3-dioxan-4-yl) prop-2-enoate
CID 175513416
diethyl (4R,5R)-2-(bromomethyl)-2-methyl-1,3-dioxolane-4,5-dicarboxylate
CID 10782268
[(4R,5R)-5-(aminomethyl)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]methanamine;platinum
CID 161224025
2,5-diethyl-2-methyl-1,3-dioxane-5-carboxylic acid
CID 139962207
(3R)-3-propyloxirane-2-carboxylic acid
CID 54567542

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid?
The IUPAC name of 2-ethyl-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid (CID 170549993) is 2-ethyl-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid.
What is the SMILES notation for 2-ethyl-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid?
The canonical SMILES for 2-ethyl-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid is CCC1(C)OC(C(=O)O)C(C(=O)O)O1.
What is the InChIKey of 2-ethyl-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid?
The InChIKey is RPGGSFYWLSHNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O6/c1-3-8(2)13-4(6(9)10)5(14-8)7(11)12/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2-ethyl-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid?
2-ethyl-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid has a molecular weight of 204.18 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid is sourced from PubChem (CID 170549993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).