5-ethenyl-1,3-dioxolane-4-carboxylic acid

C6H8O4 — CID 19013854

IUPAC5-ethenyl-1,3-dioxolane-4-carboxylic acid
SMILESC=CC1OCOC1C(=O)O
InChIInChI=1S/C6H8O4/c1-2-4-5(6(7)8)10-3-9-4/h2,4-5H,1,3H2,(H,7,8)
InChIKeyBYYIWEGWZXBEDJ-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.00
Rot. Bonds2

About 5-ethenyl-1,3-dioxolane-4-carboxylic acid

5-ethenyl-1,3-dioxolane-4-carboxylic acid (PubChem CID 19013854) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 5-ethenyl-1,3-dioxolane-4-carboxylic acid.

Molecular Properties

Compound Name5-ethenyl-1,3-dioxolane-4-carboxylic acid
PubChem CID19013854
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name5-ethenyl-1,3-dioxolane-4-carboxylic acid
SMILESC=CC1OCOC1C(=O)O
InChIInChI=1S/C6H8O4/c1-2-4-5(6(7)8)10-3-9-4/h2,4-5H,1,3H2,(H,7,8)
InChIKeyBYYIWEGWZXBEDJ-UHFFFAOYSA-N
XLogP-0.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Vlysfroiivaenj-rnfrbkrxsa-
CID 13846565
methyl (4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 134860171
(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 11401027
Methyl 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11745333
2,2-Dimethyl-5-vinyl-[1,3]dioxolane-4-carboxylic acid
CID 13550239
(4R,5R)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylic acid
CID 18642192
Hydroxymethyl 3-(2-hydroxyacetyl)oxypent-4-enoate
CID 59030105
4-Ethenyl-2-prop-2-enyl-1,3-dioxolane-2-carboxylic acid
CID 69231632
5-Ethenyl-2-oxo-1,3-dioxolane-4-carboxylic acid
CID 122643657
(5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 126711970
Methyl 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylate
CID 134599664
2,6-Dioxabicyclo[3.1.0]hex-3-ene-1-carboxylic acid
CID 141342798

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,3-dioxolane-4-carboxylic acid?
The IUPAC name of 5-ethenyl-1,3-dioxolane-4-carboxylic acid (CID 19013854) is 5-ethenyl-1,3-dioxolane-4-carboxylic acid.
What is the SMILES notation for 5-ethenyl-1,3-dioxolane-4-carboxylic acid?
The canonical SMILES for 5-ethenyl-1,3-dioxolane-4-carboxylic acid is C=CC1OCOC1C(=O)O.
What is the InChIKey of 5-ethenyl-1,3-dioxolane-4-carboxylic acid?
The InChIKey is BYYIWEGWZXBEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-2-4-5(6(7)8)10-3-9-4/h2,4-5H,1,3H2,(H,7,8).
What are the key properties of 5-ethenyl-1,3-dioxolane-4-carboxylic acid?
5-ethenyl-1,3-dioxolane-4-carboxylic acid has a molecular weight of 144.13 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,3-dioxolane-4-carboxylic acid is sourced from PubChem (CID 19013854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).