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

C9H14O4 — CID 16724813

IUPAC2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid
SMILESC=CCC(C(=O)O)C1(C)OCCO1
InChIInChI=1S/C9H14O4/c1-3-4-7(8(10)11)9(2)12-5-6-13-9/h3,7H,1,4-6H2,2H3,(H,10,11)
InChIKeyWLEAOLPZDRDPJF-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.03
Rot. Bonds4

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

2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid (PubChem CID 16724813) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid
PubChem CID16724813
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid
SMILESC=CCC(C(=O)O)C1(C)OCCO1
InChIInChI=1S/C9H14O4/c1-3-4-7(8(10)11)9(2)12-5-6-13-9/h3,7H,1,4-6H2,2H3,(H,10,11)
InChIKeyWLEAOLPZDRDPJF-UHFFFAOYSA-N
XLogP1.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.03
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 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid?
The IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid (CID 16724813) is 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid.
What is the SMILES notation for 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid?
The canonical SMILES for 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid is C=CCC(C(=O)O)C1(C)OCCO1.
What is the InChIKey of 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid?
The InChIKey is WLEAOLPZDRDPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-3-4-7(8(10)11)9(2)12-5-6-13-9/h3,7H,1,4-6H2,2H3,(H,10,11).
What are the key properties of 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid?
2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid has a molecular weight of 186.21 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid is sourced from PubChem (CID 16724813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).