2-(1,3-dioxolan-2-yl)pentanoic acid

C8H14O4 — CID 154429218

IUPAC2-(1,3-dioxolan-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)C1OCCO1
InChIInChI=1S/C8H14O4/c1-2-3-6(7(9)10)8-11-4-5-12-8/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyLBGOSXLLKUJGPW-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.86
Rot. Bonds4

About 2-(1,3-dioxolan-2-yl)pentanoic acid

2-(1,3-dioxolan-2-yl)pentanoic acid (PubChem CID 154429218) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)pentanoic acid.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)pentanoic acid
PubChem CID154429218
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-(1,3-dioxolan-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)C1OCCO1
InChIInChI=1S/C8H14O4/c1-2-3-6(7(9)10)8-11-4-5-12-8/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyLBGOSXLLKUJGPW-UHFFFAOYSA-N
XLogP0.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)pentanoic acid?
The IUPAC name of 2-(1,3-dioxolan-2-yl)pentanoic acid (CID 154429218) is 2-(1,3-dioxolan-2-yl)pentanoic acid.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)pentanoic acid?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)pentanoic acid is CCCC(C(=O)O)C1OCCO1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)pentanoic acid?
The InChIKey is LBGOSXLLKUJGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-2-3-6(7(9)10)8-11-4-5-12-8/h6,8H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-(1,3-dioxolan-2-yl)pentanoic acid?
2-(1,3-dioxolan-2-yl)pentanoic acid has a molecular weight of 174.20 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)pentanoic acid is sourced from PubChem (CID 154429218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).