ethyl 3-[6-(acetyloxymethyl)oxan-2-yl]oxybutanoate

C14H24O6 — CID 135130509

IUPACethyl 3-[6-(acetyloxymethyl)oxan-2-yl]oxybutanoate
SMILESCCOC(=O)CC(C)OC1CCCC(COC(C)=O)O1
InChIInChI=1S/C14H24O6/c1-4-17-13(16)8-10(2)19-14-7-5-6-12(20-14)9-18-11(3)15/h10,12,14H,4-9H2,1-3H3
InChIKeyYBEQVKPMCAHODO-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.80
Rot. Bonds7

About ethyl 3-[6-(acetyloxymethyl)oxan-2-yl]oxybutanoate

ethyl 3-[6-(acetyloxymethyl)oxan-2-yl]oxybutanoate (PubChem CID 135130509) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is ethyl 3-[6-(acetyloxymethyl)oxan-2-yl]oxybutanoate.

Molecular Properties

Compound Nameethyl 3-[6-(acetyloxymethyl)oxan-2-yl]oxybutanoate
PubChem CID135130509
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Nameethyl 3-[6-(acetyloxymethyl)oxan-2-yl]oxybutanoate
SMILESCCOC(=O)CC(C)OC1CCCC(COC(C)=O)O1
InChIInChI=1S/C14H24O6/c1-4-17-13(16)8-10(2)19-14-7-5-6-12(20-14)9-18-11(3)15/h10,12,14H,4-9H2,1-3H3
InChIKeyYBEQVKPMCAHODO-UHFFFAOYSA-N
XLogP1.80
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxan-2-yl]methyl acetate
CID 19882877
ethyl 5-(oxan-2-yloxy)-3-oxohexanoate
CID 14279639
ethane;(5-propan-2-yloxolan-2-yl)methyl acetate
CID 142391715
ethyl 3-(cyclohexylmethoxy)butanoate
CID 115003091
[6-(tert-butylcarbamoyl)oxan-2-yl]methyl acetate
CID 72765932
ethyl 2-[(2R,6S)-6-tert-butyloxan-2-yl]oxypropanoate
CID 15827852
[(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate
CID 143562159
1-[[6-(2-methylpropoxy)oxan-2-yl]methoxy]butan-2-one
CID 146621932
(5,6-dimethyloxan-2-yl)methyl acetate
CID 164565040
2-[(2S)-6-(hydroxymethyl)oxan-2-yl]oxybutanediamide
CID 162706911
ethyl 3-cyclopropylbutanoate
CID 47078610
(4-hydroxyoxetan-2-yl)methyl acetate
CID 67977653

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[6-(acetyloxymethyl)oxan-2-yl]oxybutanoate?
The IUPAC name of ethyl 3-[6-(acetyloxymethyl)oxan-2-yl]oxybutanoate (CID 135130509) is ethyl 3-[6-(acetyloxymethyl)oxan-2-yl]oxybutanoate.
What is the SMILES notation for ethyl 3-[6-(acetyloxymethyl)oxan-2-yl]oxybutanoate?
The canonical SMILES for ethyl 3-[6-(acetyloxymethyl)oxan-2-yl]oxybutanoate is CCOC(=O)CC(C)OC1CCCC(COC(C)=O)O1.
What is the InChIKey of ethyl 3-[6-(acetyloxymethyl)oxan-2-yl]oxybutanoate?
The InChIKey is YBEQVKPMCAHODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-4-17-13(16)8-10(2)19-14-7-5-6-12(20-14)9-18-11(3)15/h10,12,14H,4-9H2,1-3H3.
What are the key properties of ethyl 3-[6-(acetyloxymethyl)oxan-2-yl]oxybutanoate?
ethyl 3-[6-(acetyloxymethyl)oxan-2-yl]oxybutanoate has a molecular weight of 288.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[6-(acetyloxymethyl)oxan-2-yl]oxybutanoate is sourced from PubChem (CID 135130509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).