1-(3,4-dihydro-2H-pyran-3-yl)-3-(oxolan-2-yl)propan-1-one

C12H18O3 — CID 141268539

IUPAC1-(3,4-dihydro-2H-pyran-3-yl)-3-(oxolan-2-yl)propan-1-one
SMILESO=C(CCC1CCCO1)C1CC=COC1
InChIInChI=1S/C12H18O3/c13-12(10-3-1-7-14-9-10)6-5-11-4-2-8-15-11/h1,7,10-11H,2-6,8-9H2
InChIKeyOUUVTUILOFCIRG-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.06
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-3-yl)-3-(oxolan-2-yl)propan-1-one

1-(3,4-dihydro-2H-pyran-3-yl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 141268539) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-3-yl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-3-yl)-3-(oxolan-2-yl)propan-1-one
PubChem CID141268539
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(3,4-dihydro-2H-pyran-3-yl)-3-(oxolan-2-yl)propan-1-one
SMILESO=C(CCC1CCCO1)C1CC=COC1
InChIInChI=1S/C12H18O3/c13-12(10-3-1-7-14-9-10)6-5-11-4-2-8-15-11/h1,7,10-11H,2-6,8-9H2
InChIKeyOUUVTUILOFCIRG-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-pyran-3-yl)-3-(oxolan-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-3-yl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-3-yl)-3-(oxolan-2-yl)propan-1-one (CID 141268539) is 1-(3,4-dihydro-2H-pyran-3-yl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-3-yl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-3-yl)-3-(oxolan-2-yl)propan-1-one is O=C(CCC1CCCO1)C1CC=COC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-3-yl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is OUUVTUILOFCIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c13-12(10-3-1-7-14-9-10)6-5-11-4-2-8-15-11/h1,7,10-11H,2-6,8-9H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-3-yl)-3-(oxolan-2-yl)propan-1-one?
1-(3,4-dihydro-2H-pyran-3-yl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 210.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-3-yl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 141268539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).