3,4-dihydro-2H-pyran-5-yl-(4-methoxyoxan-4-yl)methanone

C12H18O4 — CID 116748588

IUPAC3,4-dihydro-2H-pyran-5-yl-(4-methoxyoxan-4-yl)methanone
SMILESCOC1(C(=O)C2=COCCC2)CCOCC1
InChIInChI=1S/C12H18O4/c1-14-12(4-7-15-8-5-12)11(13)10-3-2-6-16-9-10/h9H,2-8H2,1H3
InChIKeySXGXAEHCWGZSAF-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.45
Rot. Bonds3

About 3,4-dihydro-2H-pyran-5-yl-(4-methoxyoxan-4-yl)methanone

3,4-dihydro-2H-pyran-5-yl-(4-methoxyoxan-4-yl)methanone (PubChem CID 116748588) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(4-methoxyoxan-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(4-methoxyoxan-4-yl)methanone
PubChem CID116748588
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(4-methoxyoxan-4-yl)methanone
SMILESCOC1(C(=O)C2=COCCC2)CCOCC1
InChIInChI=1S/C12H18O4/c1-14-12(4-7-15-8-5-12)11(13)10-3-2-6-16-9-10/h9H,2-8H2,1H3
InChIKeySXGXAEHCWGZSAF-UHFFFAOYSA-N
XLogP1.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-pyran-5-yl-(4-methoxyoxan-4-yl)methanone 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 3,4-dihydro-2H-pyran-5-yl-(4-methoxyoxan-4-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(4-methoxyoxan-4-yl)methanone (CID 116748588) is 3,4-dihydro-2H-pyran-5-yl-(4-methoxyoxan-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(4-methoxyoxan-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(4-methoxyoxan-4-yl)methanone is COC1(C(=O)C2=COCCC2)CCOCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(4-methoxyoxan-4-yl)methanone?
The InChIKey is SXGXAEHCWGZSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-14-12(4-7-15-8-5-12)11(13)10-3-2-6-16-9-10/h9H,2-8H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(4-methoxyoxan-4-yl)methanone?
3,4-dihydro-2H-pyran-5-yl-(4-methoxyoxan-4-yl)methanone has a molecular weight of 226.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-(4-methoxyoxan-4-yl)methanone is sourced from PubChem (CID 116748588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).