2-propan-2-yloxy-2H-pyran-5-one

C8H12O3 — CID 10583015

IUPAC2-propan-2-yloxy-2H-pyran-5-one
SMILESCC(C)OC1C=CC(=O)CO1
InChIInChI=1S/C8H12O3/c1-6(2)11-8-4-3-7(9)5-10-8/h3-4,6,8H,5H2,1-2H3
InChIKeyQOBVYDFJCWOWOW-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds2

About 2-propan-2-yloxy-2H-pyran-5-one

2-propan-2-yloxy-2H-pyran-5-one (PubChem CID 10583015) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-propan-2-yloxy-2H-pyran-5-one.

Molecular Properties

Compound Name2-propan-2-yloxy-2H-pyran-5-one
PubChem CID10583015
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-propan-2-yloxy-2H-pyran-5-one
SMILESCC(C)OC1C=CC(=O)CO1
InChIInChI=1S/C8H12O3/c1-6(2)11-8-4-3-7(9)5-10-8/h3-4,6,8H,5H2,1-2H3
InChIKeyQOBVYDFJCWOWOW-UHFFFAOYSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Levoglucosenone
CID 699486
6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one
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6-methoxy-3,6-dihydro-2H-pyran-3-one
CID 13011785
2H-Pyran-3(6H)-one, 2-ethyl-6-methoxy-
CID 332602
Methyl 2,3,6-trideoxy-alpha-glycero-hex-2-enopyranosid-4-ulose
CID 3082380
GlyTouCan:G99125NH
CID 148030
(2R,6S)-2-methoxy-6-methyl-2H-pyran-5-one
CID 11073522
6-Acetoxy-2H-pyran-3(6H)-one
CID 11116290
2-methyl-6-acetoxy-3-oxo-3,6-dihydro-2H-pyran
CID 13031642
4-Oxo-5-methoxy-2-penten-5-olide
CID 86145415
1,6-Anhydro-3,4-dideoxy-a-d-glycero-hex-3-enopyranose-2-ulose (1s,5r)-6,8-dioxobicyclo[3.2.1]oct-2-en-4-one
CID 699488
(2R,4aR,9aS)-2-methyl-4a,9a-dihydro-4H-[1,3]dioxino[5,4-b]oxepin-7-one
CID 16071457

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-2H-pyran-5-one?
The IUPAC name of 2-propan-2-yloxy-2H-pyran-5-one (CID 10583015) is 2-propan-2-yloxy-2H-pyran-5-one.
What is the SMILES notation for 2-propan-2-yloxy-2H-pyran-5-one?
The canonical SMILES for 2-propan-2-yloxy-2H-pyran-5-one is CC(C)OC1C=CC(=O)CO1.
What is the InChIKey of 2-propan-2-yloxy-2H-pyran-5-one?
The InChIKey is QOBVYDFJCWOWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-6(2)11-8-4-3-7(9)5-10-8/h3-4,6,8H,5H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-2H-pyran-5-one?
2-propan-2-yloxy-2H-pyran-5-one has a molecular weight of 156.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-2H-pyran-5-one is sourced from PubChem (CID 10583015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).