oxane-3-carboxylic acid

C6H10O3 — CID 16767361

IUPACoxane-3-carboxylic acid
SMILESO=C(O)C1CCCOC1
InChIInChI=1S/C6H10O3/c7-6(8)5-2-1-3-9-4-5/h5H,1-4H2,(H,7,8)
InChIKeyYEWPVCUHKJABMV-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.50
Rot. Bonds1

About oxane-3-carboxylic acid

oxane-3-carboxylic acid (PubChem CID 16767361) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is oxane-3-carboxylic acid.

Molecular Properties

Compound Nameoxane-3-carboxylic acid
PubChem CID16767361
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Nameoxane-3-carboxylic acid
SMILESO=C(O)C1CCCOC1
InChIInChI=1S/C6H10O3/c7-6(8)5-2-1-3-9-4-5/h5H,1-4H2,(H,7,8)
InChIKeyYEWPVCUHKJABMV-UHFFFAOYSA-N
XLogP0.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxane-3-carboxylic acid?
The IUPAC name of oxane-3-carboxylic acid (CID 16767361) is oxane-3-carboxylic acid.
What is the SMILES notation for oxane-3-carboxylic acid?
The canonical SMILES for oxane-3-carboxylic acid is O=C(O)C1CCCOC1.
What is the InChIKey of oxane-3-carboxylic acid?
The InChIKey is YEWPVCUHKJABMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c7-6(8)5-2-1-3-9-4-5/h5H,1-4H2,(H,7,8).
What are the key properties of oxane-3-carboxylic acid?
oxane-3-carboxylic acid has a molecular weight of 130.14 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxane-3-carboxylic acid is sourced from PubChem (CID 16767361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).