6-methyl-2-propyl-2,3-dihydropyran-4-one

C9H14O2 — CID 11528380

IUPAC6-methyl-2-propyl-2,3-dihydropyran-4-one
SMILESCCCC1CC(=O)C=C(C)O1
InChIInChI=1S/C9H14O2/c1-3-4-9-6-8(10)5-7(2)11-9/h5,9H,3-4,6H2,1-2H3
InChIKeyNHUVRKLXARUSNW-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds2

About 6-methyl-2-propyl-2,3-dihydropyran-4-one

6-methyl-2-propyl-2,3-dihydropyran-4-one (PubChem CID 11528380) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-methyl-2-propyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name6-methyl-2-propyl-2,3-dihydropyran-4-one
PubChem CID11528380
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name6-methyl-2-propyl-2,3-dihydropyran-4-one
SMILESCCCC1CC(=O)C=C(C)O1
InChIInChI=1S/C9H14O2/c1-3-4-9-6-8(10)5-7(2)11-9/h5,9H,3-4,6H2,1-2H3
InChIKeyNHUVRKLXARUSNW-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propyl-2,3-dihydropyran-4-one?
The IUPAC name of 6-methyl-2-propyl-2,3-dihydropyran-4-one (CID 11528380) is 6-methyl-2-propyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 6-methyl-2-propyl-2,3-dihydropyran-4-one?
The canonical SMILES for 6-methyl-2-propyl-2,3-dihydropyran-4-one is CCCC1CC(=O)C=C(C)O1.
What is the InChIKey of 6-methyl-2-propyl-2,3-dihydropyran-4-one?
The InChIKey is NHUVRKLXARUSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-9-6-8(10)5-7(2)11-9/h5,9H,3-4,6H2,1-2H3.
What are the key properties of 6-methyl-2-propyl-2,3-dihydropyran-4-one?
6-methyl-2-propyl-2,3-dihydropyran-4-one has a molecular weight of 154.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 11528380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).