2-[1-(2H-pyran-2-yl)propyl]-2H-pyran

C13H16O2 — CID 90240233

IUPAC2-[1-(2H-pyran-2-yl)propyl]-2H-pyran
SMILESCCC(C1C=CC=CO1)C1C=CC=CO1
InChIInChI=1S/C13H16O2/c1-2-11(12-7-3-5-9-14-12)13-8-4-6-10-15-13/h3-13H,2H2,1H3
InChIKeyIKEREONTXDYUCT-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.95
Rot. Bonds3

About 2-[1-(2H-pyran-2-yl)propyl]-2H-pyran

2-[1-(2H-pyran-2-yl)propyl]-2H-pyran (PubChem CID 90240233) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[1-(2H-pyran-2-yl)propyl]-2H-pyran.

Molecular Properties

Compound Name2-[1-(2H-pyran-2-yl)propyl]-2H-pyran
PubChem CID90240233
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-[1-(2H-pyran-2-yl)propyl]-2H-pyran
SMILESCCC(C1C=CC=CO1)C1C=CC=CO1
InChIInChI=1S/C13H16O2/c1-2-11(12-7-3-5-9-14-12)13-8-4-6-10-15-13/h3-13H,2H2,1H3
InChIKeyIKEREONTXDYUCT-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2H-pyran-2-yl)propyl]-2H-pyran?
The IUPAC name of 2-[1-(2H-pyran-2-yl)propyl]-2H-pyran (CID 90240233) is 2-[1-(2H-pyran-2-yl)propyl]-2H-pyran.
What is the SMILES notation for 2-[1-(2H-pyran-2-yl)propyl]-2H-pyran?
The canonical SMILES for 2-[1-(2H-pyran-2-yl)propyl]-2H-pyran is CCC(C1C=CC=CO1)C1C=CC=CO1.
What is the InChIKey of 2-[1-(2H-pyran-2-yl)propyl]-2H-pyran?
The InChIKey is IKEREONTXDYUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-11(12-7-3-5-9-14-12)13-8-4-6-10-15-13/h3-13H,2H2,1H3.
What are the key properties of 2-[1-(2H-pyran-2-yl)propyl]-2H-pyran?
2-[1-(2H-pyran-2-yl)propyl]-2H-pyran has a molecular weight of 204.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2H-pyran-2-yl)propyl]-2H-pyran is sourced from PubChem (CID 90240233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).