2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoic acid

C13H24O4 — CID 83051691

IUPAC2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoic acid
SMILESCCCC(O)(C(=O)O)C1CCOC(C)(CC)C1
InChIInChI=1S/C13H24O4/c1-4-7-13(16,11(14)15)10-6-8-17-12(3,5-2)9-10/h10,16H,4-9H2,1-3H3,(H,14,15)
InChIKeyWHTFXDGCHWDPME-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.20
Rot. Bonds5

About 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoic acid

2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoic acid (PubChem CID 83051691) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoic acid.

Molecular Properties

Compound Name2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoic acid
PubChem CID83051691
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoic acid
SMILESCCCC(O)(C(=O)O)C1CCOC(C)(CC)C1
InChIInChI=1S/C13H24O4/c1-4-7-13(16,11(14)15)10-6-8-17-12(3,5-2)9-10/h10,16H,4-9H2,1-3H3,(H,14,15)
InChIKeyWHTFXDGCHWDPME-UHFFFAOYSA-N
XLogP2.20
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoic acid?
The IUPAC name of 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoic acid (CID 83051691) is 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoic acid.
What is the SMILES notation for 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoic acid?
The canonical SMILES for 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoic acid is CCCC(O)(C(=O)O)C1CCOC(C)(CC)C1.
What is the InChIKey of 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoic acid?
The InChIKey is WHTFXDGCHWDPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-4-7-13(16,11(14)15)10-6-8-17-12(3,5-2)9-10/h10,16H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoic acid?
2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoic acid is sourced from PubChem (CID 83051691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).