ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoate

C15H28O4 — CID 83050965

IUPACethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoate
SMILESCCCC(O)(C(=O)OCC)C1CCOC(C)(CC)C1
InChIInChI=1S/C15H28O4/c1-5-9-15(17,13(16)18-7-3)12-8-10-19-14(4,6-2)11-12/h12,17H,5-11H2,1-4H3
InChIKeyUGRRBSZPSFSSJH-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.68
Rot. Bonds6

About ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoate

ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoate (PubChem CID 83050965) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoate.

Molecular Properties

Compound Nameethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoate
PubChem CID83050965
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Nameethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoate
SMILESCCCC(O)(C(=O)OCC)C1CCOC(C)(CC)C1
InChIInChI=1S/C15H28O4/c1-5-9-15(17,13(16)18-7-3)12-8-10-19-14(4,6-2)11-12/h12,17H,5-11H2,1-4H3
InChIKeyUGRRBSZPSFSSJH-UHFFFAOYSA-N
XLogP2.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoate?
The IUPAC name of ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoate (CID 83050965) is ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoate.
What is the SMILES notation for ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoate?
The canonical SMILES for ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoate is CCCC(O)(C(=O)OCC)C1CCOC(C)(CC)C1.
What is the InChIKey of ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoate?
The InChIKey is UGRRBSZPSFSSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-5-9-15(17,13(16)18-7-3)12-8-10-19-14(4,6-2)11-12/h12,17H,5-11H2,1-4H3.
What are the key properties of ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoate?
ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoate has a molecular weight of 272.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoate is sourced from PubChem (CID 83050965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).