(4R,5R)-2-[(E)-prop-1-enyl]-1,3-dioxolane-4,5-dicarboxylic acid

C8H10O6 — CID 18642191

IUPAC(4R,5R)-2-[(E)-prop-1-enyl]-1,3-dioxolane-4,5-dicarboxylic acid
SMILESC/C=C/C1O[C@@H](C(=O)O)[C@H](C(=O)O)O1
InChIInChI=1S/C8H10O6/c1-2-3-4-13-5(7(9)10)6(14-4)8(11)12/h2-6H,1H3,(H,9,10)(H,11,12)/b3-2+/t5-,6-/m1/s1
InChIKeyJQISKAMZJGFPSD-SRGUAZEISA-N
MW202.16 g/mol
LogP-0.16
Rot. Bonds3

About (4R,5R)-2-[(E)-prop-1-enyl]-1,3-dioxolane-4,5-dicarboxylic acid

(4R,5R)-2-[(E)-prop-1-enyl]-1,3-dioxolane-4,5-dicarboxylic acid (PubChem CID 18642191) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is (4R,5R)-2-[(E)-prop-1-enyl]-1,3-dioxolane-4,5-dicarboxylic acid.

Molecular Properties

Compound Name(4R,5R)-2-[(E)-prop-1-enyl]-1,3-dioxolane-4,5-dicarboxylic acid
PubChem CID18642191
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name(4R,5R)-2-[(E)-prop-1-enyl]-1,3-dioxolane-4,5-dicarboxylic acid
SMILESC/C=C/C1O[C@@H](C(=O)O)[C@H](C(=O)O)O1
InChIInChI=1S/C8H10O6/c1-2-3-4-13-5(7(9)10)6(14-4)8(11)12/h2-6H,1H3,(H,9,10)(H,11,12)/b3-2+/t5-,6-/m1/s1
InChIKeyJQISKAMZJGFPSD-SRGUAZEISA-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'}

Analyze (4R,5R)-2-[(E)-prop-1-enyl]-1,3-dioxolane-4,5-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-[(E)-prop-1-enyl]-1,3-dioxolane-4,5-dicarboxylic acid?
The IUPAC name of (4R,5R)-2-[(E)-prop-1-enyl]-1,3-dioxolane-4,5-dicarboxylic acid (CID 18642191) is (4R,5R)-2-[(E)-prop-1-enyl]-1,3-dioxolane-4,5-dicarboxylic acid.
What is the SMILES notation for (4R,5R)-2-[(E)-prop-1-enyl]-1,3-dioxolane-4,5-dicarboxylic acid?
The canonical SMILES for (4R,5R)-2-[(E)-prop-1-enyl]-1,3-dioxolane-4,5-dicarboxylic acid is C/C=C/C1O[C@@H](C(=O)O)[C@H](C(=O)O)O1.
What is the InChIKey of (4R,5R)-2-[(E)-prop-1-enyl]-1,3-dioxolane-4,5-dicarboxylic acid?
The InChIKey is JQISKAMZJGFPSD-SRGUAZEISA-N. The full InChI is InChI=1S/C8H10O6/c1-2-3-4-13-5(7(9)10)6(14-4)8(11)12/h2-6H,1H3,(H,9,10)(H,11,12)/b3-2+/t5-,6-/m1/s1.
What are the key properties of (4R,5R)-2-[(E)-prop-1-enyl]-1,3-dioxolane-4,5-dicarboxylic acid?
(4R,5R)-2-[(E)-prop-1-enyl]-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 (4R,5R)-2-[(E)-prop-1-enyl]-1,3-dioxolane-4,5-dicarboxylic acid is sourced from PubChem (CID 18642191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).