2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pent-4-enoic acid

C10H14O5 — CID 18319314

IUPAC2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pent-4-enoic acid
SMILESC=CCC(C(=O)O)C1OC(C)(C)OC1=O
InChIInChI=1S/C10H14O5/c1-4-5-6(8(11)12)7-9(13)15-10(2,3)14-7/h4,6-7H,1,5H2,2-3H3,(H,11,12)
InChIKeyBVGWXHRUCRFGEF-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.94
Rot. Bonds4

About 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pent-4-enoic acid

2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pent-4-enoic acid (PubChem CID 18319314) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pent-4-enoic acid.

Molecular Properties

Compound Name2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pent-4-enoic acid
PubChem CID18319314
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pent-4-enoic acid
SMILESC=CCC(C(=O)O)C1OC(C)(C)OC1=O
InChIInChI=1S/C10H14O5/c1-4-5-6(8(11)12)7-9(13)15-10(2,3)14-7/h4,6-7H,1,5H2,2-3H3,(H,11,12)
InChIKeyBVGWXHRUCRFGEF-UHFFFAOYSA-N
XLogP0.94
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
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-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pent-4-enoic acid?
The IUPAC name of 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pent-4-enoic acid (CID 18319314) is 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pent-4-enoic acid.
What is the SMILES notation for 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pent-4-enoic acid?
The canonical SMILES for 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pent-4-enoic acid is C=CCC(C(=O)O)C1OC(C)(C)OC1=O.
What is the InChIKey of 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pent-4-enoic acid?
The InChIKey is BVGWXHRUCRFGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-4-5-6(8(11)12)7-9(13)15-10(2,3)14-7/h4,6-7H,1,5H2,2-3H3,(H,11,12).
What are the key properties of 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pent-4-enoic acid?
2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pent-4-enoic acid has a molecular weight of 214.22 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pent-4-enoic acid is sourced from PubChem (CID 18319314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).