3-(4-hydroxy-2-propyloxan-4-yl)propanoic acid

C11H20O4 — CID 66322763

IUPAC3-(4-hydroxy-2-propyloxan-4-yl)propanoic acid
SMILESCCCC1CC(O)(CCC(=O)O)CCO1
InChIInChI=1S/C11H20O4/c1-2-3-9-8-11(14,6-7-15-9)5-4-10(12)13/h9,14H,2-8H2,1H3,(H,12,13)
InChIKeyNYDRFDORIBDKHH-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.56
Rot. Bonds5

About 3-(4-hydroxy-2-propyloxan-4-yl)propanoic acid

3-(4-hydroxy-2-propyloxan-4-yl)propanoic acid (PubChem CID 66322763) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(4-hydroxy-2-propyloxan-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-2-propyloxan-4-yl)propanoic acid
PubChem CID66322763
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name3-(4-hydroxy-2-propyloxan-4-yl)propanoic acid
SMILESCCCC1CC(O)(CCC(=O)O)CCO1
InChIInChI=1S/C11H20O4/c1-2-3-9-8-11(14,6-7-15-9)5-4-10(12)13/h9,14H,2-8H2,1H3,(H,12,13)
InChIKeyNYDRFDORIBDKHH-UHFFFAOYSA-N
XLogP1.56
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2-propyloxan-4-yl)propanoic acid?
The IUPAC name of 3-(4-hydroxy-2-propyloxan-4-yl)propanoic acid (CID 66322763) is 3-(4-hydroxy-2-propyloxan-4-yl)propanoic acid.
What is the SMILES notation for 3-(4-hydroxy-2-propyloxan-4-yl)propanoic acid?
The canonical SMILES for 3-(4-hydroxy-2-propyloxan-4-yl)propanoic acid is CCCC1CC(O)(CCC(=O)O)CCO1.
What is the InChIKey of 3-(4-hydroxy-2-propyloxan-4-yl)propanoic acid?
The InChIKey is NYDRFDORIBDKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-2-3-9-8-11(14,6-7-15-9)5-4-10(12)13/h9,14H,2-8H2,1H3,(H,12,13).
What are the key properties of 3-(4-hydroxy-2-propyloxan-4-yl)propanoic acid?
3-(4-hydroxy-2-propyloxan-4-yl)propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2-propyloxan-4-yl)propanoic acid is sourced from PubChem (CID 66322763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).