2-methoxy-3-propan-2-yl-2H-pyran-5-one

C9H14O3 — CID 130030275

IUPAC2-methoxy-3-propan-2-yl-2H-pyran-5-one
SMILESCOC1OCC(=O)C=C1C(C)C
InChIInChI=1S/C9H14O3/c1-6(2)8-4-7(10)5-12-9(8)11-3/h4,6,9H,5H2,1-3H3
InChIKeyCMGWEIQQWCACLE-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.14
Rot. Bonds2

About 2-methoxy-3-propan-2-yl-2H-pyran-5-one

2-methoxy-3-propan-2-yl-2H-pyran-5-one (PubChem CID 130030275) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-methoxy-3-propan-2-yl-2H-pyran-5-one.

Molecular Properties

Compound Name2-methoxy-3-propan-2-yl-2H-pyran-5-one
PubChem CID130030275
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-methoxy-3-propan-2-yl-2H-pyran-5-one
SMILESCOC1OCC(=O)C=C1C(C)C
InChIInChI=1S/C9H14O3/c1-6(2)8-4-7(10)5-12-9(8)11-3/h4,6,9H,5H2,1-3H3
InChIKeyCMGWEIQQWCACLE-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-propan-2-yl-2H-pyran-5-one?
The IUPAC name of 2-methoxy-3-propan-2-yl-2H-pyran-5-one (CID 130030275) is 2-methoxy-3-propan-2-yl-2H-pyran-5-one.
What is the SMILES notation for 2-methoxy-3-propan-2-yl-2H-pyran-5-one?
The canonical SMILES for 2-methoxy-3-propan-2-yl-2H-pyran-5-one is COC1OCC(=O)C=C1C(C)C.
What is the InChIKey of 2-methoxy-3-propan-2-yl-2H-pyran-5-one?
The InChIKey is CMGWEIQQWCACLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-6(2)8-4-7(10)5-12-9(8)11-3/h4,6,9H,5H2,1-3H3.
What are the key properties of 2-methoxy-3-propan-2-yl-2H-pyran-5-one?
2-methoxy-3-propan-2-yl-2H-pyran-5-one has a molecular weight of 170.21 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-propan-2-yl-2H-pyran-5-one is sourced from PubChem (CID 130030275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).