6-methyl-4-propan-2-ylidenepyran-2-one

C9H12O2 — CID 71383805

IUPAC6-methyl-4-propan-2-ylidenepyran-2-one
SMILESCC1=CC(=C(C)C)CC(=O)O1
InChIInChI=1S/C9H12O2/c1-6(2)8-4-7(3)11-9(10)5-8/h4H,5H2,1-3H3
InChIKeyGUMQTWOVDLVFQL-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.17
Rot. Bonds

About 6-methyl-4-propan-2-ylidenepyran-2-one

6-methyl-4-propan-2-ylidenepyran-2-one (PubChem CID 71383805) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 6-methyl-4-propan-2-ylidenepyran-2-one.

Molecular Properties

Compound Name6-methyl-4-propan-2-ylidenepyran-2-one
PubChem CID71383805
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name6-methyl-4-propan-2-ylidenepyran-2-one
SMILESCC1=CC(=C(C)C)CC(=O)O1
InChIInChI=1S/C9H12O2/c1-6(2)8-4-7(3)11-9(10)5-8/h4H,5H2,1-3H3
InChIKeyGUMQTWOVDLVFQL-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-propan-2-ylidenepyran-2-one?
The IUPAC name of 6-methyl-4-propan-2-ylidenepyran-2-one (CID 71383805) is 6-methyl-4-propan-2-ylidenepyran-2-one.
What is the SMILES notation for 6-methyl-4-propan-2-ylidenepyran-2-one?
The canonical SMILES for 6-methyl-4-propan-2-ylidenepyran-2-one is CC1=CC(=C(C)C)CC(=O)O1.
What is the InChIKey of 6-methyl-4-propan-2-ylidenepyran-2-one?
The InChIKey is GUMQTWOVDLVFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-6(2)8-4-7(3)11-9(10)5-8/h4H,5H2,1-3H3.
What are the key properties of 6-methyl-4-propan-2-ylidenepyran-2-one?
6-methyl-4-propan-2-ylidenepyran-2-one has a molecular weight of 152.19 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-propan-2-ylidenepyran-2-one is sourced from PubChem (CID 71383805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).