5-(1,3-dioxolan-2-yl)pentanoic acid

C8H14O4 — CID 46201160

IUPAC5-(1,3-dioxolan-2-yl)pentanoic acid
SMILESO=C(O)CCCCC1OCCO1
InChIInChI=1S/C8H14O4/c9-7(10)3-1-2-4-8-11-5-6-12-8/h8H,1-6H2,(H,9,10)
InChIKeyACOVTNSPDQDDDD-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.00
Rot. Bonds5

About 5-(1,3-dioxolan-2-yl)pentanoic acid

5-(1,3-dioxolan-2-yl)pentanoic acid (PubChem CID 46201160) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-(1,3-dioxolan-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-(1,3-dioxolan-2-yl)pentanoic acid
PubChem CID46201160
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name5-(1,3-dioxolan-2-yl)pentanoic acid
SMILESO=C(O)CCCCC1OCCO1
InChIInChI=1S/C8H14O4/c9-7(10)3-1-2-4-8-11-5-6-12-8/h8H,1-6H2,(H,9,10)
InChIKeyACOVTNSPDQDDDD-UHFFFAOYSA-N
XLogP1.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(1,3-Dioxolan-2-yl)hexanoic acid
CID 70069321
4-(1,3-Dioxolan-2-yl)butanoic acid
CID 293639
Ethyl 5-(1,3-dioxolan-2-yl)pentanoate
CID 12956803
2-(2-Propyl-1,3-dioxolan-2-yl)acetic acid
CID 59537270
6,6-Diethoxyhexanoic acid
CID 86175570
1,3-Dioxolane-2-pentanoic acid, methyl ester
CID 11298406
7-(1,3-Dioxolan-2-yl)heptanoic acid
CID 85521367
5-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)pentanoic acid
CID 162400932
(3S)-5-(1,3-dioxolan-2-yl)-3-methylpentanoic acid
CID 11819809
5-(1,3-dioxolan-2-yl)-2-oxo-pentanoic Acid
CID 9836974
8-(1,3-Dioxolan-2-yl)octanoic acid
CID 12725299
6-(1,3-Dioxolan-2-yl)-4-oxohexanoic acid
CID 13694383

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxolan-2-yl)pentanoic acid?
The IUPAC name of 5-(1,3-dioxolan-2-yl)pentanoic acid (CID 46201160) is 5-(1,3-dioxolan-2-yl)pentanoic acid.
What is the SMILES notation for 5-(1,3-dioxolan-2-yl)pentanoic acid?
The canonical SMILES for 5-(1,3-dioxolan-2-yl)pentanoic acid is O=C(O)CCCCC1OCCO1.
What is the InChIKey of 5-(1,3-dioxolan-2-yl)pentanoic acid?
The InChIKey is ACOVTNSPDQDDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c9-7(10)3-1-2-4-8-11-5-6-12-8/h8H,1-6H2,(H,9,10).
What are the key properties of 5-(1,3-dioxolan-2-yl)pentanoic acid?
5-(1,3-dioxolan-2-yl)pentanoic acid has a molecular weight of 174.20 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxolan-2-yl)pentanoic acid is sourced from PubChem (CID 46201160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).