2-ethyl-2-methyl-6-methylidenepyran-3-one

C9H12O2 — CID 20695155

IUPAC2-ethyl-2-methyl-6-methylidenepyran-3-one
SMILESC=C1C=CC(=O)C(C)(CC)O1
InChIInChI=1S/C9H12O2/c1-4-9(3)8(10)6-5-7(2)11-9/h5-6H,2,4H2,1,3H3
InChIKeyCHKZGIPCJFGSHK-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.82
Rot. Bonds1

About 2-ethyl-2-methyl-6-methylidenepyran-3-one

2-ethyl-2-methyl-6-methylidenepyran-3-one (PubChem CID 20695155) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-ethyl-2-methyl-6-methylidenepyran-3-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-6-methylidenepyran-3-one
PubChem CID20695155
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-ethyl-2-methyl-6-methylidenepyran-3-one
SMILESC=C1C=CC(=O)C(C)(CC)O1
InChIInChI=1S/C9H12O2/c1-4-9(3)8(10)6-5-7(2)11-9/h5-6H,2,4H2,1,3H3
InChIKeyCHKZGIPCJFGSHK-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(1E,3E)-hexa-1,3-dienyl]-2-methyl-5-[(E)-prop-1-enyl]furan-3-one
CID 44575740
(1,2,5-Trimethyl-6-oxocyclohexa-2,4-dien-1-yl) acetate
CID 12169751
6-Acetoxy-6-methyl-2,4-cyclohexadienone
CID 10583181
1,5-Dimethyl-6-oxocyclohexa-2,4-dien-1-yl acetate
CID 12351074
6-Ethyl-6-methylpyran-2,5-dione
CID 18365712
2,2-Dimethyl-5-(1-propenyl)-3(2H)-furanone
CID 6440085
2-Allyl-2-acetoxy-cyclohexadienon
CID 12248392
6-Oxo-1-(propan-2-yl)cyclohexa-2,4-dien-1-yl acetate
CID 71380227
3(2H)-Furanone, 5-ethenyl-2,2-dimethyl-
CID 153818
1,2,4-Trimethyl-6-oxocyclohexa-2,4-dien-1-yl acetate
CID 247777
2,2,6,6-Tetramethylpyran-3-one
CID 14929331
2,2-Dimethyl-6-methylidenepyran-3-one
CID 20695153

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-6-methylidenepyran-3-one?
The IUPAC name of 2-ethyl-2-methyl-6-methylidenepyran-3-one (CID 20695155) is 2-ethyl-2-methyl-6-methylidenepyran-3-one.
What is the SMILES notation for 2-ethyl-2-methyl-6-methylidenepyran-3-one?
The canonical SMILES for 2-ethyl-2-methyl-6-methylidenepyran-3-one is C=C1C=CC(=O)C(C)(CC)O1.
What is the InChIKey of 2-ethyl-2-methyl-6-methylidenepyran-3-one?
The InChIKey is CHKZGIPCJFGSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-4-9(3)8(10)6-5-7(2)11-9/h5-6H,2,4H2,1,3H3.
What are the key properties of 2-ethyl-2-methyl-6-methylidenepyran-3-one?
2-ethyl-2-methyl-6-methylidenepyran-3-one has a molecular weight of 152.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-6-methylidenepyran-3-one is sourced from PubChem (CID 20695155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).