2,5-dimethyl-2,3-dihydropyran-4-one

C7H10O2 — CID 130028189

IUPAC2,5-dimethyl-2,3-dihydropyran-4-one
SMILESCC1=COC(C)CC1=O
InChIInChI=1S/C7H10O2/c1-5-4-9-6(2)3-7(5)8/h4,6H,3H2,1-2H3
InChIKeyLCYQDSFFNRNNMU-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.27
Rot. Bonds

About 2,5-dimethyl-2,3-dihydropyran-4-one

2,5-dimethyl-2,3-dihydropyran-4-one (PubChem CID 130028189) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2,5-dimethyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2,5-dimethyl-2,3-dihydropyran-4-one
PubChem CID130028189
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2,5-dimethyl-2,3-dihydropyran-4-one
SMILESCC1=COC(C)CC1=O
InChIInChI=1S/C7H10O2/c1-5-4-9-6(2)3-7(5)8/h4,6H,3H2,1-2H3
InChIKeyLCYQDSFFNRNNMU-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-3,4-dihydro-2H-pyran-4-one
CID 14394611
2-Butyl-5-methyl-2,3-dihydropyran-4-one
CID 130036444
5-Methyl-2-propan-2-yl-2,3-dihydropyran-4-one
CID 130036481
2-Ethyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 74320459
5-Methoxy-2-methylhex-1-en-3-one
CID 12576430
5-Ethoxy-2-methylhex-1-en-3-one
CID 14450735
5-Methoxy-2-methylpent-1-en-3-one
CID 14907390
3-Methyl-1-(oxiran-2-yl)but-3-en-2-one
CID 17880287
5-Hydroperoxy-2-methylhex-1-en-3-one
CID 20579884
2,3,5-Trimethyl-2,3-dihydropyran-4-one
CID 21286956
4H-Pyran-4-one, 2,3-dihydro-5-methyl-
CID 45117283
1-(2H-oxet-3-yl)propan-1-one
CID 89169321

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,3-dihydropyran-4-one?
The IUPAC name of 2,5-dimethyl-2,3-dihydropyran-4-one (CID 130028189) is 2,5-dimethyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 2,5-dimethyl-2,3-dihydropyran-4-one?
The canonical SMILES for 2,5-dimethyl-2,3-dihydropyran-4-one is CC1=COC(C)CC1=O.
What is the InChIKey of 2,5-dimethyl-2,3-dihydropyran-4-one?
The InChIKey is LCYQDSFFNRNNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-4-9-6(2)3-7(5)8/h4,6H,3H2,1-2H3.
What are the key properties of 2,5-dimethyl-2,3-dihydropyran-4-one?
2,5-dimethyl-2,3-dihydropyran-4-one has a molecular weight of 126.15 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 130028189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).