5-(oxan-2-yl)-2H-pyran

C10H14O2 — CID 22629292

IUPAC5-(oxan-2-yl)-2H-pyran
SMILESC1=CC(C2CCCCO2)=COC1
InChIInChI=1S/C10H14O2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,8,10H,1-2,5-7H2
InChIKeyCMMSYDUCEOBGSG-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.03
Rot. Bonds1

About 5-(oxan-2-yl)-2H-pyran

5-(oxan-2-yl)-2H-pyran (PubChem CID 22629292) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-(oxan-2-yl)-2H-pyran.

Molecular Properties

Compound Name5-(oxan-2-yl)-2H-pyran
PubChem CID22629292
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-(oxan-2-yl)-2H-pyran
SMILESC1=CC(C2CCCCO2)=COC1
InChIInChI=1S/C10H14O2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,8,10H,1-2,5-7H2
InChIKeyCMMSYDUCEOBGSG-UHFFFAOYSA-N
XLogP2.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-yl)-2H-pyran?
The IUPAC name of 5-(oxan-2-yl)-2H-pyran (CID 22629292) is 5-(oxan-2-yl)-2H-pyran.
What is the SMILES notation for 5-(oxan-2-yl)-2H-pyran?
The canonical SMILES for 5-(oxan-2-yl)-2H-pyran is C1=CC(C2CCCCO2)=COC1.
What is the InChIKey of 5-(oxan-2-yl)-2H-pyran?
The InChIKey is CMMSYDUCEOBGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,8,10H,1-2,5-7H2.
What are the key properties of 5-(oxan-2-yl)-2H-pyran?
5-(oxan-2-yl)-2H-pyran has a molecular weight of 166.22 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-yl)-2H-pyran is sourced from PubChem (CID 22629292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).