6-methyl-2-propan-2-yloxy-2H-pyran-5-one

C9H14O3 — CID 21397309

IUPAC6-methyl-2-propan-2-yloxy-2H-pyran-5-one
SMILESCC(C)OC1C=CC(=O)C(C)O1
InChIInChI=1S/C9H14O3/c1-6(2)11-9-5-4-8(10)7(3)12-9/h4-7,9H,1-3H3
InChIKeyYBTLDMRFLOSXSU-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds2

About 6-methyl-2-propan-2-yloxy-2H-pyran-5-one

6-methyl-2-propan-2-yloxy-2H-pyran-5-one (PubChem CID 21397309) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yloxy-2H-pyran-5-one.

Molecular Properties

Compound Name6-methyl-2-propan-2-yloxy-2H-pyran-5-one
PubChem CID21397309
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name6-methyl-2-propan-2-yloxy-2H-pyran-5-one
SMILESCC(C)OC1C=CC(=O)C(C)O1
InChIInChI=1S/C9H14O3/c1-6(2)11-9-5-4-8(10)7(3)12-9/h4-7,9H,1-3H3
InChIKeyYBTLDMRFLOSXSU-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yloxy-2H-pyran-5-one?
The IUPAC name of 6-methyl-2-propan-2-yloxy-2H-pyran-5-one (CID 21397309) is 6-methyl-2-propan-2-yloxy-2H-pyran-5-one.
What is the SMILES notation for 6-methyl-2-propan-2-yloxy-2H-pyran-5-one?
The canonical SMILES for 6-methyl-2-propan-2-yloxy-2H-pyran-5-one is CC(C)OC1C=CC(=O)C(C)O1.
What is the InChIKey of 6-methyl-2-propan-2-yloxy-2H-pyran-5-one?
The InChIKey is YBTLDMRFLOSXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-6(2)11-9-5-4-8(10)7(3)12-9/h4-7,9H,1-3H3.
What are the key properties of 6-methyl-2-propan-2-yloxy-2H-pyran-5-one?
6-methyl-2-propan-2-yloxy-2H-pyran-5-one has a molecular weight of 170.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yloxy-2H-pyran-5-one is sourced from PubChem (CID 21397309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).