2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid

C8H10O6 — CID 23286502

IUPAC2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid
SMILESC=C(C)C1OC(C(=O)O)C(C(=O)O)O1
InChIInChI=1S/C8H10O6/c1-3(2)8-13-4(6(9)10)5(14-8)7(11)12/h4-5,8H,1H2,2H3,(H,9,10)(H,11,12)
InChIKeyUGRCEHHBYWRMGH-UHFFFAOYSA-N
MW202.16 g/mol
LogP-0.16
Rot. Bonds3

About 2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid

2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid (PubChem CID 23286502) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid.

Molecular Properties

Compound Name2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid
PubChem CID23286502
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid
SMILESC=C(C)C1OC(C(=O)O)C(C(=O)O)O1
InChIInChI=1S/C8H10O6/c1-3(2)8-13-4(6(9)10)5(14-8)7(11)12/h4-5,8H,1H2,2H3,(H,9,10)(H,11,12)
InChIKeyUGRCEHHBYWRMGH-UHFFFAOYSA-N
XLogP-0.16
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid?
The IUPAC name of 2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid (CID 23286502) is 2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid.
What is the SMILES notation for 2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid?
The canonical SMILES for 2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid is C=C(C)C1OC(C(=O)O)C(C(=O)O)O1.
What is the InChIKey of 2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid?
The InChIKey is UGRCEHHBYWRMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O6/c1-3(2)8-13-4(6(9)10)5(14-8)7(11)12/h4-5,8H,1H2,2H3,(H,9,10)(H,11,12).
What are the key properties of 2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid?
2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid has a molecular weight of 202.16 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid is sourced from PubChem (CID 23286502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).