1-(2,6-dimethylpyran-4-ylidene)propan-2-one

C10H12O2 — CID 15555243

IUPAC1-(2,6-dimethylpyran-4-ylidene)propan-2-one
SMILESCC(=O)C=C1C=C(C)OC(C)=C1
InChIInChI=1S/C10H12O2/c1-7(11)4-10-5-8(2)12-9(3)6-10/h4-6H,1-3H3
InChIKeyQTYQYLNRQRCGBU-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.34
Rot. Bonds1

About 1-(2,6-dimethylpyran-4-ylidene)propan-2-one

1-(2,6-dimethylpyran-4-ylidene)propan-2-one (PubChem CID 15555243) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-(2,6-dimethylpyran-4-ylidene)propan-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylpyran-4-ylidene)propan-2-one
PubChem CID15555243
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name1-(2,6-dimethylpyran-4-ylidene)propan-2-one
SMILESCC(=O)C=C1C=C(C)OC(C)=C1
InChIInChI=1S/C10H12O2/c1-7(11)4-10-5-8(2)12-9(3)6-10/h4-6H,1-3H3
InChIKeyQTYQYLNRQRCGBU-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyran-4-ylidene)propan-2-one?
The IUPAC name of 1-(2,6-dimethylpyran-4-ylidene)propan-2-one (CID 15555243) is 1-(2,6-dimethylpyran-4-ylidene)propan-2-one.
What is the SMILES notation for 1-(2,6-dimethylpyran-4-ylidene)propan-2-one?
The canonical SMILES for 1-(2,6-dimethylpyran-4-ylidene)propan-2-one is CC(=O)C=C1C=C(C)OC(C)=C1.
What is the InChIKey of 1-(2,6-dimethylpyran-4-ylidene)propan-2-one?
The InChIKey is QTYQYLNRQRCGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7(11)4-10-5-8(2)12-9(3)6-10/h4-6H,1-3H3.
What are the key properties of 1-(2,6-dimethylpyran-4-ylidene)propan-2-one?
1-(2,6-dimethylpyran-4-ylidene)propan-2-one has a molecular weight of 164.20 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyran-4-ylidene)propan-2-one is sourced from PubChem (CID 15555243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).