oxolane;propanoic acid

C7H14O3 — CID 162183532

IUPACoxolane;propanoic acid
SMILESC1CCOC1.CCC(=O)O
InChIInChI=1S/C4H8O.C3H6O2/c1-2-4-5-3-1;1-2-3(4)5/h1-4H2;2H2,1H3,(H,4,5)
InChIKeyZPIZAFSIMHXFRS-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.28
Rot. Bonds1

About oxolane;propanoic acid

oxolane;propanoic acid (PubChem CID 162183532) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is oxolane;propanoic acid.

Molecular Properties

Compound Nameoxolane;propanoic acid
PubChem CID162183532
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Nameoxolane;propanoic acid
SMILESC1CCOC1.CCC(=O)O
InChIInChI=1S/C4H8O.C3H6O2/c1-2-4-5-3-1;1-2-3(4)5/h1-4H2;2H2,1H3,(H,4,5)
InChIKeyZPIZAFSIMHXFRS-UHFFFAOYSA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22559816
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CID 174943472

Frequently Asked Questions

What is the IUPAC name of oxolane;propanoic acid?
The IUPAC name of oxolane;propanoic acid (CID 162183532) is oxolane;propanoic acid.
What is the SMILES notation for oxolane;propanoic acid?
The canonical SMILES for oxolane;propanoic acid is C1CCOC1.CCC(=O)O.
What is the InChIKey of oxolane;propanoic acid?
The InChIKey is ZPIZAFSIMHXFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H6O2/c1-2-4-5-3-1;1-2-3(4)5/h1-4H2;2H2,1H3,(H,4,5).
What are the key properties of oxolane;propanoic acid?
oxolane;propanoic acid has a molecular weight of 146.19 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;propanoic acid is sourced from PubChem (CID 162183532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).