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

C8H12O2 — CID 13197911

IUPAC2-propyl-2,3-dihydropyran-4-one
SMILESCCCC1CC(=O)C=CO1
InChIInChI=1S/C8H12O2/c1-2-3-8-6-7(9)4-5-10-8/h4-5,8H,2-3,6H2,1H3
InChIKeyINSHCENXEBIIHU-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds2

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

2-propyl-2,3-dihydropyran-4-one (PubChem CID 13197911) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-propyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-propyl-2,3-dihydropyran-4-one
PubChem CID13197911
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-propyl-2,3-dihydropyran-4-one
SMILESCCCC1CC(=O)C=CO1
InChIInChI=1S/C8H12O2/c1-2-3-8-6-7(9)4-5-10-8/h4-5,8H,2-3,6H2,1H3
InChIKeyINSHCENXEBIIHU-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-2,3-dihydropyran-4-one?
The IUPAC name of 2-propyl-2,3-dihydropyran-4-one (CID 13197911) is 2-propyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-propyl-2,3-dihydropyran-4-one?
The canonical SMILES for 2-propyl-2,3-dihydropyran-4-one is CCCC1CC(=O)C=CO1.
What is the InChIKey of 2-propyl-2,3-dihydropyran-4-one?
The InChIKey is INSHCENXEBIIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-3-8-6-7(9)4-5-10-8/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 2-propyl-2,3-dihydropyran-4-one?
2-propyl-2,3-dihydropyran-4-one has a molecular weight of 140.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 13197911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).