6-propan-2-yl-2H-pyran-5-one

C8H12O2 — CID 149158933

IUPAC6-propan-2-yl-2H-pyran-5-one
SMILESCC(C)C1OCC=CC1=O
InChIInChI=1S/C8H12O2/c1-6(2)8-7(9)4-3-5-10-8/h3-4,6,8H,5H2,1-2H3
InChIKeyVGMYMZIPXQZENI-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.17
Rot. Bonds1

About 6-propan-2-yl-2H-pyran-5-one

6-propan-2-yl-2H-pyran-5-one (PubChem CID 149158933) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 6-propan-2-yl-2H-pyran-5-one.

Molecular Properties

Compound Name6-propan-2-yl-2H-pyran-5-one
PubChem CID149158933
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name6-propan-2-yl-2H-pyran-5-one
SMILESCC(C)C1OCC=CC1=O
InChIInChI=1S/C8H12O2/c1-6(2)8-7(9)4-3-5-10-8/h3-4,6,8H,5H2,1-2H3
InChIKeyVGMYMZIPXQZENI-UHFFFAOYSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041217
2,6-dimethyl-2H-pyran-5-one
CID 22916282
(2S,6R)-6-methyl-2-prop-2-enyl-2H-pyran-5-one
CID 72707769
2-methyl-3-(5-oxo-2H-pyran-2-yl)propanal
CID 44351567
2-methyl-3-(6-methyl-5-oxo-2H-pyran-2-yl)propanal
CID 44351602
9-Oxa-bicyclo[3.3.1]nona-3,6-dien-2-one
CID 572024
(2R,6S)-2,6-dimethyl-2H-pyran-5-one
CID 10749188
(2R,6R)-2,6-dimethyl-2H-pyran-5-one
CID 10772980
6-Hydroxy-6-methyl-2-propan-2-ylpyran-3-one
CID 11194577
(2R,6S)-6-hydroxy-2-propan-2-yl-6-prop-2-enylpyran-3-one
CID 11975691
(6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041218
(2S)-2-[(2S)-but-3-en-2-yl]-6-hydroxy-6-methylpyran-3-one
CID 45139862

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2H-pyran-5-one?
The IUPAC name of 6-propan-2-yl-2H-pyran-5-one (CID 149158933) is 6-propan-2-yl-2H-pyran-5-one.
What is the SMILES notation for 6-propan-2-yl-2H-pyran-5-one?
The canonical SMILES for 6-propan-2-yl-2H-pyran-5-one is CC(C)C1OCC=CC1=O.
What is the InChIKey of 6-propan-2-yl-2H-pyran-5-one?
The InChIKey is VGMYMZIPXQZENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(2)8-7(9)4-3-5-10-8/h3-4,6,8H,5H2,1-2H3.
What are the key properties of 6-propan-2-yl-2H-pyran-5-one?
6-propan-2-yl-2H-pyran-5-one has a molecular weight of 140.18 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2H-pyran-5-one is sourced from PubChem (CID 149158933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).