2,3,5,6-tetramethyl-2,3-dihydropyran-4-one

C9H14O2 — CID 18716341

IUPAC2,3,5,6-tetramethyl-2,3-dihydropyran-4-one
SMILESCC1=C(C)C(=O)C(C)C(C)O1
InChIInChI=1S/C9H14O2/c1-5-7(3)11-8(4)6(2)9(5)10/h5,7H,1-4H3
InChIKeyCYHJSQVRKGMSDQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds

About 2,3,5,6-tetramethyl-2,3-dihydropyran-4-one

2,3,5,6-tetramethyl-2,3-dihydropyran-4-one (PubChem CID 18716341) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-2,3-dihydropyran-4-one
PubChem CID18716341
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2,3,5,6-tetramethyl-2,3-dihydropyran-4-one
SMILESCC1=C(C)C(=O)C(C)C(C)O1
InChIInChI=1S/C9H14O2/c1-5-7(3)11-8(4)6(2)9(5)10/h5,7H,1-4H3
InChIKeyCYHJSQVRKGMSDQ-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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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Related Compounds

4H-Pyran-4-one, 2-ethyl-2,3-dihydro-3,5-dimethyl-6-(1-methyl-2-oxobutyl)-, (2S,3R)-
CID 159006
Stegobinone
CID 194878
(2S,3R)-2,3,5-Trimethyl-6-[(2R)-3-oxopentan-2-yl]-2,3-dihydropyran-4-one
CID 10966164
Stegobiol
CID 11020597
2,3-Dihydro-3,5-dimethyl-2,6-diethyl-4h-pyran-4-one
CID 13391759
2,3-Dihydro-2,3,5-trimethyl-6-(1'-methyl-2'-hydroxybutyl)-4h-pyran-4-one
CID 13909674
3-Ethoxy-2,4-dimethylcyclobut-2-en-1-one
CID 298849
2-Ethyl-3,5-dimethyl-6-(3-oxopentan-2-yl)-2,3-dihydropyran-4-one
CID 13116581
(2S,3R)-2,3,5-trimethyl-6-[(2S)-3-oxopentan-2-yl]-2,3-dihydropyran-4-one
CID 12784462
(2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one
CID 102294821
3-Methoxy-2-methyl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 134877714
2-ethyl-6-[[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]methyl]-3,5-dimethylpyran-4-one
CID 135082344

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-2,3-dihydropyran-4-one?
The IUPAC name of 2,3,5,6-tetramethyl-2,3-dihydropyran-4-one (CID 18716341) is 2,3,5,6-tetramethyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 2,3,5,6-tetramethyl-2,3-dihydropyran-4-one?
The canonical SMILES for 2,3,5,6-tetramethyl-2,3-dihydropyran-4-one is CC1=C(C)C(=O)C(C)C(C)O1.
What is the InChIKey of 2,3,5,6-tetramethyl-2,3-dihydropyran-4-one?
The InChIKey is CYHJSQVRKGMSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-5-7(3)11-8(4)6(2)9(5)10/h5,7H,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-2,3-dihydropyran-4-one?
2,3,5,6-tetramethyl-2,3-dihydropyran-4-one has a molecular weight of 154.21 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 18716341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).