[2-(1-hydroxypropan-2-yl)-3-methoxy-5-oxofuran-2-yl] acetate

C10H14O6 — CID 156580708

IUPAC[2-(1-hydroxypropan-2-yl)-3-methoxy-5-oxofuran-2-yl] acetate
SMILESCOC1=CC(=O)OC1(OC(C)=O)C(C)CO
InChIInChI=1S/C10H14O6/c1-6(5-11)10(15-7(2)12)8(14-3)4-9(13)16-10/h4,6,11H,5H2,1-3H3
InChIKeyPBWPLYFKIQINSB-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.04
Rot. Bonds4

About [2-(1-hydroxypropan-2-yl)-3-methoxy-5-oxofuran-2-yl] acetate

[2-(1-hydroxypropan-2-yl)-3-methoxy-5-oxofuran-2-yl] acetate (PubChem CID 156580708) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is [2-(1-hydroxypropan-2-yl)-3-methoxy-5-oxofuran-2-yl] acetate.

Molecular Properties

Compound Name[2-(1-hydroxypropan-2-yl)-3-methoxy-5-oxofuran-2-yl] acetate
PubChem CID156580708
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name[2-(1-hydroxypropan-2-yl)-3-methoxy-5-oxofuran-2-yl] acetate
SMILESCOC1=CC(=O)OC1(OC(C)=O)C(C)CO
InChIInChI=1S/C10H14O6/c1-6(5-11)10(15-7(2)12)8(14-3)4-9(13)16-10/h4,6,11H,5H2,1-3H3
InChIKeyPBWPLYFKIQINSB-UHFFFAOYSA-N
XLogP-0.04
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-Dihydropenicillic acid
CID 160256
Xavwwbqjiqtieu-uhfffaoysa-
CID 11206454
6-Ethoxy-5,6-dihydropenillic acid
CID 152666927
(5S)-5-hydroxy-4-methoxy-5-propan-2-ylfuran-2-one
CID 40561655
4 R, 5S-Talactone C
CID 156580706
4 S, 5S-Talactone C
CID 156580707
(5R)-5-hydroxy-4-methoxy-5-[(2R)-1-methoxypropan-2-yl]furan-2-one
CID 162871382
4R,5S-Talactone C
CID 170989278
4S,5S-Talactone C
CID 170989279
4-Hydroxy-5-isopropyl-5-methoxyfuran-2(5H)-one
CID 121226715
5-Hydroxy-5-(1-hydroxypropan-2-yl)-4-methoxyfuran-2-one
CID 66633447
5-Hydroxy-5-(2-hydroxypropyl)-4-methoxyfuran-2-one
CID 68744293

Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxypropan-2-yl)-3-methoxy-5-oxofuran-2-yl] acetate?
The IUPAC name of [2-(1-hydroxypropan-2-yl)-3-methoxy-5-oxofuran-2-yl] acetate (CID 156580708) is [2-(1-hydroxypropan-2-yl)-3-methoxy-5-oxofuran-2-yl] acetate.
What is the SMILES notation for [2-(1-hydroxypropan-2-yl)-3-methoxy-5-oxofuran-2-yl] acetate?
The canonical SMILES for [2-(1-hydroxypropan-2-yl)-3-methoxy-5-oxofuran-2-yl] acetate is COC1=CC(=O)OC1(OC(C)=O)C(C)CO.
What is the InChIKey of [2-(1-hydroxypropan-2-yl)-3-methoxy-5-oxofuran-2-yl] acetate?
The InChIKey is PBWPLYFKIQINSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-6(5-11)10(15-7(2)12)8(14-3)4-9(13)16-10/h4,6,11H,5H2,1-3H3.
What are the key properties of [2-(1-hydroxypropan-2-yl)-3-methoxy-5-oxofuran-2-yl] acetate?
[2-(1-hydroxypropan-2-yl)-3-methoxy-5-oxofuran-2-yl] acetate has a molecular weight of 230.22 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxypropan-2-yl)-3-methoxy-5-oxofuran-2-yl] acetate is sourced from PubChem (CID 156580708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).