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

C10H16O4 — CID 157055093

IUPAC3-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enoic acid
SMILESC=CC(CC(=O)O)C1COC(C)(C)O1
InChIInChI=1S/C10H16O4/c1-4-7(5-9(11)12)8-6-13-10(2,3)14-8/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)
InChIKeyAAQTWVMDOOMZKG-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.41
Rot. Bonds4

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

3-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enoic acid (PubChem CID 157055093) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enoic acid.

Molecular Properties

Compound Name3-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enoic acid
PubChem CID157055093
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name3-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enoic acid
SMILESC=CC(CC(=O)O)C1COC(C)(C)O1
InChIInChI=1S/C10H16O4/c1-4-7(5-9(11)12)8-6-13-10(2,3)14-8/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)
InChIKeyAAQTWVMDOOMZKG-UHFFFAOYSA-N
XLogP1.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enoic acid?
The IUPAC name of 3-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enoic acid (CID 157055093) is 3-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enoic acid.
What is the SMILES notation for 3-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enoic acid?
The canonical SMILES for 3-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enoic acid is C=CC(CC(=O)O)C1COC(C)(C)O1.
What is the InChIKey of 3-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enoic acid?
The InChIKey is AAQTWVMDOOMZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-7(5-9(11)12)8-6-13-10(2,3)14-8/h4,7-8H,1,5-6H2,2-3H3,(H,11,12).
What are the key properties of 3-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enoic acid?
3-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enoic acid is sourced from PubChem (CID 157055093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).