(2S)-6-(hydroxymethyl)-2-methyl-2,3-dihydropyran-4-one

C7H10O3 — CID 10396933

IUPAC(2S)-6-(hydroxymethyl)-2-methyl-2,3-dihydropyran-4-one
SMILESC[C@H]1CC(=O)C=C(CO)O1
InChIInChI=1S/C7H10O3/c1-5-2-6(9)3-7(4-8)10-5/h3,5,8H,2,4H2,1H3/t5-/m0/s1
InChIKeyFXGUGSUNHREWBM-YFKPBYRVSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds1

About (2S)-6-(hydroxymethyl)-2-methyl-2,3-dihydropyran-4-one

(2S)-6-(hydroxymethyl)-2-methyl-2,3-dihydropyran-4-one (PubChem CID 10396933) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (2S)-6-(hydroxymethyl)-2-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2S)-6-(hydroxymethyl)-2-methyl-2,3-dihydropyran-4-one
PubChem CID10396933
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(2S)-6-(hydroxymethyl)-2-methyl-2,3-dihydropyran-4-one
SMILESC[C@H]1CC(=O)C=C(CO)O1
InChIInChI=1S/C7H10O3/c1-5-2-6(9)3-7(4-8)10-5/h3,5,8H,2,4H2,1H3/t5-/m0/s1
InChIKeyFXGUGSUNHREWBM-YFKPBYRVSA-N
XLogP0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-(hydroxymethyl)-2-methyl-2,3-dihydropyran-4-one?
The IUPAC name of (2S)-6-(hydroxymethyl)-2-methyl-2,3-dihydropyran-4-one (CID 10396933) is (2S)-6-(hydroxymethyl)-2-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2S)-6-(hydroxymethyl)-2-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for (2S)-6-(hydroxymethyl)-2-methyl-2,3-dihydropyran-4-one is C[C@H]1CC(=O)C=C(CO)O1.
What is the InChIKey of (2S)-6-(hydroxymethyl)-2-methyl-2,3-dihydropyran-4-one?
The InChIKey is FXGUGSUNHREWBM-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10O3/c1-5-2-6(9)3-7(4-8)10-5/h3,5,8H,2,4H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-6-(hydroxymethyl)-2-methyl-2,3-dihydropyran-4-one?
(2S)-6-(hydroxymethyl)-2-methyl-2,3-dihydropyran-4-one has a molecular weight of 142.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-(hydroxymethyl)-2-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 10396933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).