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

C8H14O4 — CID 69324317

IUPAC3-(1,3-dioxolan-2-yl)pentanoic acid
SMILESCCC(CC(=O)O)C1OCCO1
InChIInChI=1S/C8H14O4/c1-2-6(5-7(9)10)8-11-3-4-12-8/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyWQRPGUDWKCNUSV-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.86
Rot. Bonds4

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

3-(1,3-dioxolan-2-yl)pentanoic acid (PubChem CID 69324317) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)pentanoic acid.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)pentanoic acid
PubChem CID69324317
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name3-(1,3-dioxolan-2-yl)pentanoic acid
SMILESCCC(CC(=O)O)C1OCCO1
InChIInChI=1S/C8H14O4/c1-2-6(5-7(9)10)8-11-3-4-12-8/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyWQRPGUDWKCNUSV-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 3-(1,3-dioxolan-2-yl)pentanoic acid?
The IUPAC name of 3-(1,3-dioxolan-2-yl)pentanoic acid (CID 69324317) is 3-(1,3-dioxolan-2-yl)pentanoic acid.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)pentanoic acid?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)pentanoic acid is CCC(CC(=O)O)C1OCCO1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)pentanoic acid?
The InChIKey is WQRPGUDWKCNUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-2-6(5-7(9)10)8-11-3-4-12-8/h6,8H,2-5H2,1H3,(H,9,10).
What are the key properties of 3-(1,3-dioxolan-2-yl)pentanoic acid?
3-(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 3-(1,3-dioxolan-2-yl)pentanoic acid is sourced from PubChem (CID 69324317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).