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

C13H20O4 — CID 116748863

IUPAC3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methanone
SMILESCCOC1(C(=O)C2=COCCC2)CCOCC1
InChIInChI=1S/C13H20O4/c1-2-17-13(5-8-15-9-6-13)12(14)11-4-3-7-16-10-11/h10H,2-9H2,1H3
InChIKeyINSVAXKFHIGDBI-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.84
Rot. Bonds4

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

3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methanone (PubChem CID 116748863) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methanone
PubChem CID116748863
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methanone
SMILESCCOC1(C(=O)C2=COCCC2)CCOCC1
InChIInChI=1S/C13H20O4/c1-2-17-13(5-8-15-9-6-13)12(14)11-4-3-7-16-10-11/h10H,2-9H2,1H3
InChIKeyINSVAXKFHIGDBI-UHFFFAOYSA-N
XLogP1.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methanone (CID 116748863) is 3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methanone is CCOC1(C(=O)C2=COCCC2)CCOCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methanone?
The InChIKey is INSVAXKFHIGDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-2-17-13(5-8-15-9-6-13)12(14)11-4-3-7-16-10-11/h10H,2-9H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methanone?
3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methanone has a molecular weight of 240.30 g/mol, XLogP of 1.84, 4 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-ethoxyoxan-4-yl)methanone is sourced from PubChem (CID 116748863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).