3,4-dimethyl-6-propyl-2H-pyran-5-one

C10H16O2 — CID 69345890

IUPAC3,4-dimethyl-6-propyl-2H-pyran-5-one
SMILESCCCC1OCC(C)=C(C)C1=O
InChIInChI=1S/C10H16O2/c1-4-5-9-10(11)8(3)7(2)6-12-9/h9H,4-6H2,1-3H3
InChIKeyTZASZBXPGRMCPD-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds2

About 3,4-dimethyl-6-propyl-2H-pyran-5-one

3,4-dimethyl-6-propyl-2H-pyran-5-one (PubChem CID 69345890) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3,4-dimethyl-6-propyl-2H-pyran-5-one.

Molecular Properties

Compound Name3,4-dimethyl-6-propyl-2H-pyran-5-one
PubChem CID69345890
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3,4-dimethyl-6-propyl-2H-pyran-5-one
SMILESCCCC1OCC(C)=C(C)C1=O
InChIInChI=1S/C10H16O2/c1-4-5-9-10(11)8(3)7(2)6-12-9/h9H,4-6H2,1-3H3
InChIKeyTZASZBXPGRMCPD-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-propyl-2H-pyran-5-one?
The IUPAC name of 3,4-dimethyl-6-propyl-2H-pyran-5-one (CID 69345890) is 3,4-dimethyl-6-propyl-2H-pyran-5-one.
What is the SMILES notation for 3,4-dimethyl-6-propyl-2H-pyran-5-one?
The canonical SMILES for 3,4-dimethyl-6-propyl-2H-pyran-5-one is CCCC1OCC(C)=C(C)C1=O.
What is the InChIKey of 3,4-dimethyl-6-propyl-2H-pyran-5-one?
The InChIKey is TZASZBXPGRMCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-5-9-10(11)8(3)7(2)6-12-9/h9H,4-6H2,1-3H3.
What are the key properties of 3,4-dimethyl-6-propyl-2H-pyran-5-one?
3,4-dimethyl-6-propyl-2H-pyran-5-one has a molecular weight of 168.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-propyl-2H-pyran-5-one is sourced from PubChem (CID 69345890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).