(2R,3S)-2-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one

C9H14O2 — CID 24805773

IUPAC(2R,3S)-2-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one
SMILESCC[C@H]1OC=C(C)C(=O)[C@H]1C
InChIInChI=1S/C9H14O2/c1-4-8-7(3)9(10)6(2)5-11-8/h5,7-8H,4H2,1-3H3/t7-,8+/m0/s1
InChIKeyDMTGGUILBILLSB-JGVFFNPUSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds1

About (2R,3S)-2-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one

(2R,3S)-2-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one (PubChem CID 24805773) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2R,3S)-2-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R,3S)-2-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one
PubChem CID24805773
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2R,3S)-2-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one
SMILESCC[C@H]1OC=C(C)C(=O)[C@H]1C
InChIInChI=1S/C9H14O2/c1-4-8-7(3)9(10)6(2)5-11-8/h5,7-8H,4H2,1-3H3/t7-,8+/m0/s1
InChIKeyDMTGGUILBILLSB-JGVFFNPUSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one?
The IUPAC name of (2R,3S)-2-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one (CID 24805773) is (2R,3S)-2-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R,3S)-2-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one?
The canonical SMILES for (2R,3S)-2-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one is CC[C@H]1OC=C(C)C(=O)[C@H]1C.
What is the InChIKey of (2R,3S)-2-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one?
The InChIKey is DMTGGUILBILLSB-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-8-7(3)9(10)6(2)5-11-8/h5,7-8H,4H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-2-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one?
(2R,3S)-2-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one has a molecular weight of 154.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyl-3,5-dimethyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 24805773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).