(4R,5R)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylic acid

C7H8O6 — CID 18642192

IUPAC(4R,5R)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylic acid
SMILESC=CC1O[C@@H](C(=O)O)[C@H](C(=O)O)O1
InChIInChI=1S/C7H8O6/c1-2-3-12-4(6(8)9)5(13-3)7(10)11/h2-5H,1H2,(H,8,9)(H,10,11)/t4-,5-/m1/s1
InChIKeyNTQQTLRNAZQEHG-RFZPGFLSSA-N
MW188.13 g/mol
LogP-0.55
Rot. Bonds3

About (4R,5R)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylic acid

(4R,5R)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylic acid (PubChem CID 18642192) has the molecular formula C7H8O6 and a molecular weight of 188.13 g/mol. Its IUPAC name is (4R,5R)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylic acid.

Molecular Properties

Compound Name(4R,5R)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylic acid
PubChem CID18642192
Molecular FormulaC7H8O6
Molecular Weight188.13 g/mol
Exact Mass188.03
IUPAC Name(4R,5R)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylic acid
SMILESC=CC1O[C@@H](C(=O)O)[C@H](C(=O)O)O1
InChIInChI=1S/C7H8O6/c1-2-3-12-4(6(8)9)5(13-3)7(10)11/h2-5H,1H2,(H,8,9)(H,10,11)/t4-,5-/m1/s1
InChIKeyNTQQTLRNAZQEHG-RFZPGFLSSA-N
XLogP-0.55
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 5-0.55
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 (4R,5R)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylic acid?
The IUPAC name of (4R,5R)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylic acid (CID 18642192) is (4R,5R)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylic acid.
What is the SMILES notation for (4R,5R)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylic acid?
The canonical SMILES for (4R,5R)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylic acid is C=CC1O[C@@H](C(=O)O)[C@H](C(=O)O)O1.
What is the InChIKey of (4R,5R)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylic acid?
The InChIKey is NTQQTLRNAZQEHG-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H8O6/c1-2-3-12-4(6(8)9)5(13-3)7(10)11/h2-5H,1H2,(H,8,9)(H,10,11)/t4-,5-/m1/s1.
What are the key properties of (4R,5R)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylic acid?
(4R,5R)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylic acid has a molecular weight of 188.13 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylic acid is sourced from PubChem (CID 18642192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).