(2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one

C10H16O2 — CID 102294821

IUPAC(2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one
SMILESCCC1=CC(=O)C[C@@H](C(C)C)O1
InChIInChI=1S/C10H16O2/c1-4-9-5-8(11)6-10(12-9)7(2)3/h5,7,10H,4,6H2,1-3H3/t10-/m0/s1
InChIKeyXEXHXPUXGFEPCP-JTQLQIEISA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds2

About (2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one

(2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one (PubChem CID 102294821) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one
PubChem CID102294821
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one
SMILESCCC1=CC(=O)C[C@@H](C(C)C)O1
InChIInChI=1S/C10H16O2/c1-4-9-5-8(11)6-10(12-9)7(2)3/h5,7,10H,4,6H2,1-3H3/t10-/m0/s1
InChIKeyXEXHXPUXGFEPCP-JTQLQIEISA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one?
The IUPAC name of (2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one (CID 102294821) is (2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one?
The canonical SMILES for (2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one is CCC1=CC(=O)C[C@@H](C(C)C)O1.
What is the InChIKey of (2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one?
The InChIKey is XEXHXPUXGFEPCP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16O2/c1-4-9-5-8(11)6-10(12-9)7(2)3/h5,7,10H,4,6H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one?
(2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one has a molecular weight of 168.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one is sourced from PubChem (CID 102294821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).