ethyl 6-(5-acetyloxolan-2-yl)-4-hydroxyhexanoate

C14H24O5 — CID 71294304

IUPACethyl 6-(5-acetyloxolan-2-yl)-4-hydroxyhexanoate
SMILESCCOC(=O)CCC(O)CCC1CCC(C(C)=O)O1
InChIInChI=1S/C14H24O5/c1-3-18-14(17)9-5-11(16)4-6-12-7-8-13(19-12)10(2)15/h11-13,16H,3-9H2,1-2H3
InChIKeyOUAIGDAJTCTFLP-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.61
Rot. Bonds8

About ethyl 6-(5-acetyloxolan-2-yl)-4-hydroxyhexanoate

ethyl 6-(5-acetyloxolan-2-yl)-4-hydroxyhexanoate (PubChem CID 71294304) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl 6-(5-acetyloxolan-2-yl)-4-hydroxyhexanoate.

Molecular Properties

Compound Nameethyl 6-(5-acetyloxolan-2-yl)-4-hydroxyhexanoate
PubChem CID71294304
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Nameethyl 6-(5-acetyloxolan-2-yl)-4-hydroxyhexanoate
SMILESCCOC(=O)CCC(O)CCC1CCC(C(C)=O)O1
InChIInChI=1S/C14H24O5/c1-3-18-14(17)9-5-11(16)4-6-12-7-8-13(19-12)10(2)15/h11-13,16H,3-9H2,1-2H3
InChIKeyOUAIGDAJTCTFLP-UHFFFAOYSA-N
XLogP1.61
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(5-acetyloxolan-2-yl)-4-hydroxyhexanoate?
The IUPAC name of ethyl 6-(5-acetyloxolan-2-yl)-4-hydroxyhexanoate (CID 71294304) is ethyl 6-(5-acetyloxolan-2-yl)-4-hydroxyhexanoate.
What is the SMILES notation for ethyl 6-(5-acetyloxolan-2-yl)-4-hydroxyhexanoate?
The canonical SMILES for ethyl 6-(5-acetyloxolan-2-yl)-4-hydroxyhexanoate is CCOC(=O)CCC(O)CCC1CCC(C(C)=O)O1.
What is the InChIKey of ethyl 6-(5-acetyloxolan-2-yl)-4-hydroxyhexanoate?
The InChIKey is OUAIGDAJTCTFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-3-18-14(17)9-5-11(16)4-6-12-7-8-13(19-12)10(2)15/h11-13,16H,3-9H2,1-2H3.
What are the key properties of ethyl 6-(5-acetyloxolan-2-yl)-4-hydroxyhexanoate?
ethyl 6-(5-acetyloxolan-2-yl)-4-hydroxyhexanoate has a molecular weight of 272.34 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(5-acetyloxolan-2-yl)-4-hydroxyhexanoate is sourced from PubChem (CID 71294304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).