(2S)-2-methyl-2,3-dihydropyran-4-one

C6H8O2 — CID 5324863

IUPAC(2S)-2-methyl-2,3-dihydropyran-4-one
SMILESC[C@H]1CC(=O)C=CO1
InChIInChI=1S/C6H8O2/c1-5-4-6(7)2-3-8-5/h2-3,5H,4H2,1H3/t5-/m0/s1
InChIKeyQQOGPTKWBZTBHM-YFKPBYRVSA-N
MW112.13 g/mol
LogP0.88
Rot. Bonds

About (2S)-2-methyl-2,3-dihydropyran-4-one

(2S)-2-methyl-2,3-dihydropyran-4-one (PubChem CID 5324863) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is (2S)-2-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2S)-2-methyl-2,3-dihydropyran-4-one
PubChem CID5324863
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name(2S)-2-methyl-2,3-dihydropyran-4-one
SMILESC[C@H]1CC(=O)C=CO1
InChIInChI=1S/C6H8O2/c1-5-4-6(7)2-3-8-5/h2-3,5H,4H2,1H3/t5-/m0/s1
InChIKeyQQOGPTKWBZTBHM-YFKPBYRVSA-N
XLogP0.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2,3-dihydropyran-4-one?
The IUPAC name of (2S)-2-methyl-2,3-dihydropyran-4-one (CID 5324863) is (2S)-2-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2S)-2-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for (2S)-2-methyl-2,3-dihydropyran-4-one is C[C@H]1CC(=O)C=CO1.
What is the InChIKey of (2S)-2-methyl-2,3-dihydropyran-4-one?
The InChIKey is QQOGPTKWBZTBHM-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8O2/c1-5-4-6(7)2-3-8-5/h2-3,5H,4H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-2-methyl-2,3-dihydropyran-4-one?
(2S)-2-methyl-2,3-dihydropyran-4-one has a molecular weight of 112.13 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 5324863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).