3,4,6,6-tetramethyl-2H-pyran-5-one

C9H14O2 — CID 175558090

IUPAC3,4,6,6-tetramethyl-2H-pyran-5-one
SMILESCC1=C(C)C(=O)C(C)(C)OC1
InChIInChI=1S/C9H14O2/c1-6-5-11-9(3,4)8(10)7(6)2/h5H2,1-4H3
InChIKeyKWMKNFPDTXNKDB-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds

About 3,4,6,6-tetramethyl-2H-pyran-5-one

3,4,6,6-tetramethyl-2H-pyran-5-one (PubChem CID 175558090) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3,4,6,6-tetramethyl-2H-pyran-5-one.

Molecular Properties

Compound Name3,4,6,6-tetramethyl-2H-pyran-5-one
PubChem CID175558090
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3,4,6,6-tetramethyl-2H-pyran-5-one
SMILESCC1=C(C)C(=O)C(C)(C)OC1
InChIInChI=1S/C9H14O2/c1-6-5-11-9(3,4)8(10)7(6)2/h5H2,1-4H3
InChIKeyKWMKNFPDTXNKDB-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,6-tetramethyl-2H-pyran-5-one?
The IUPAC name of 3,4,6,6-tetramethyl-2H-pyran-5-one (CID 175558090) is 3,4,6,6-tetramethyl-2H-pyran-5-one.
What is the SMILES notation for 3,4,6,6-tetramethyl-2H-pyran-5-one?
The canonical SMILES for 3,4,6,6-tetramethyl-2H-pyran-5-one is CC1=C(C)C(=O)C(C)(C)OC1.
What is the InChIKey of 3,4,6,6-tetramethyl-2H-pyran-5-one?
The InChIKey is KWMKNFPDTXNKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-5-11-9(3,4)8(10)7(6)2/h5H2,1-4H3.
What are the key properties of 3,4,6,6-tetramethyl-2H-pyran-5-one?
3,4,6,6-tetramethyl-2H-pyran-5-one has a molecular weight of 154.21 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,6-tetramethyl-2H-pyran-5-one is sourced from PubChem (CID 175558090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).