5-ethyl-2-(6-propyloxan-3-yl)-3,4-dihydro-2H-pyran

C15H26O2 — CID 118359286

IUPAC5-ethyl-2-(6-propyloxan-3-yl)-3,4-dihydro-2H-pyran
SMILESCCCC1CCC(C2CCC(CC)=CO2)CO1
InChIInChI=1S/C15H26O2/c1-3-5-14-8-7-13(11-16-14)15-9-6-12(4-2)10-17-15/h10,13-15H,3-9,11H2,1-2H3
InChIKeyZAAGBJSIPXSKDP-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.05
Rot. Bonds4

About 5-ethyl-2-(6-propyloxan-3-yl)-3,4-dihydro-2H-pyran

5-ethyl-2-(6-propyloxan-3-yl)-3,4-dihydro-2H-pyran (PubChem CID 118359286) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-ethyl-2-(6-propyloxan-3-yl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-ethyl-2-(6-propyloxan-3-yl)-3,4-dihydro-2H-pyran
PubChem CID118359286
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name5-ethyl-2-(6-propyloxan-3-yl)-3,4-dihydro-2H-pyran
SMILESCCCC1CCC(C2CCC(CC)=CO2)CO1
InChIInChI=1S/C15H26O2/c1-3-5-14-8-7-13(11-16-14)15-9-6-12(4-2)10-17-15/h10,13-15H,3-9,11H2,1-2H3
InChIKeyZAAGBJSIPXSKDP-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(6-propyloxan-3-yl)-3,4-dihydro-2H-pyran?
The IUPAC name of 5-ethyl-2-(6-propyloxan-3-yl)-3,4-dihydro-2H-pyran (CID 118359286) is 5-ethyl-2-(6-propyloxan-3-yl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-ethyl-2-(6-propyloxan-3-yl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-ethyl-2-(6-propyloxan-3-yl)-3,4-dihydro-2H-pyran is CCCC1CCC(C2CCC(CC)=CO2)CO1.
What is the InChIKey of 5-ethyl-2-(6-propyloxan-3-yl)-3,4-dihydro-2H-pyran?
The InChIKey is ZAAGBJSIPXSKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-5-14-8-7-13(11-16-14)15-9-6-12(4-2)10-17-15/h10,13-15H,3-9,11H2,1-2H3.
What are the key properties of 5-ethyl-2-(6-propyloxan-3-yl)-3,4-dihydro-2H-pyran?
5-ethyl-2-(6-propyloxan-3-yl)-3,4-dihydro-2H-pyran has a molecular weight of 238.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(6-propyloxan-3-yl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118359286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).