5,5,6,6-tetramethylpyran-2-one

C9H14O2 — CID 141046909

IUPAC5,5,6,6-tetramethylpyran-2-one
SMILESCC1(C)C=CC(=O)OC1(C)C
InChIInChI=1S/C9H14O2/c1-8(2)6-5-7(10)11-9(8,3)4/h5-6H,1-4H3
InChIKeyKMOCNKNXBYPMFI-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds

About 5,5,6,6-tetramethylpyran-2-one

5,5,6,6-tetramethylpyran-2-one (PubChem CID 141046909) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 5,5,6,6-tetramethylpyran-2-one.

Molecular Properties

Compound Name5,5,6,6-tetramethylpyran-2-one
PubChem CID141046909
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name5,5,6,6-tetramethylpyran-2-one
SMILESCC1(C)C=CC(=O)OC1(C)C
InChIInChI=1S/C9H14O2/c1-8(2)6-5-7(10)11-9(8,3)4/h5-6H,1-4H3
InChIKeyKMOCNKNXBYPMFI-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dichlorofuran-2-one
CID 15709253
(5R)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one
CID 95562580
(5S,6S)-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione
CID 46173847
5-methyl-5-(2,2,2-trifluoroethyl)furan-2-one
CID 57457743
5-[3-aminopropyl(dimethyl)silyl]-5-methylfuran-2-one
CID 139239439
(3S)-4-methyl-3-[(2R)-2-methyl-5-oxofuran-2-yl]pentanal
CID 134997341
(5S)-5-methoxy-5-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]furan-2-one
CID 10040732
6-methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 72795950
(5S)-5-methyl-5-[(E)-3-oxo-3-phenylprop-1-enyl]furan-2-one
CID 134958373
6-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
CID 14589233
5-butyl-5-(trifluoromethyl)furan-2-one
CID 72697428
(8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione
CID 102090862

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetramethylpyran-2-one?
The IUPAC name of 5,5,6,6-tetramethylpyran-2-one (CID 141046909) is 5,5,6,6-tetramethylpyran-2-one.
What is the SMILES notation for 5,5,6,6-tetramethylpyran-2-one?
The canonical SMILES for 5,5,6,6-tetramethylpyran-2-one is CC1(C)C=CC(=O)OC1(C)C.
What is the InChIKey of 5,5,6,6-tetramethylpyran-2-one?
The InChIKey is KMOCNKNXBYPMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-8(2)6-5-7(10)11-9(8,3)4/h5-6H,1-4H3.
What are the key properties of 5,5,6,6-tetramethylpyran-2-one?
5,5,6,6-tetramethylpyran-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetramethylpyran-2-one is sourced from PubChem (CID 141046909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).