2-propoxy-3-propyloxane

C11H22O2 — CID 89019415

IUPAC2-propoxy-3-propyloxane
SMILESCCCOC1OCCCC1CCC
InChIInChI=1S/C11H22O2/c1-3-6-10-7-5-9-13-11(10)12-8-4-2/h10-11H,3-9H2,1-2H3
InChIKeyAGIHFMCROVIPDX-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.97
Rot. Bonds5

About 2-propoxy-3-propyloxane

2-propoxy-3-propyloxane (PubChem CID 89019415) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-propoxy-3-propyloxane.

Molecular Properties

Compound Name2-propoxy-3-propyloxane
PubChem CID89019415
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-propoxy-3-propyloxane
SMILESCCCOC1OCCCC1CCC
InChIInChI=1S/C11H22O2/c1-3-6-10-7-5-9-13-11(10)12-8-4-2/h10-11H,3-9H2,1-2H3
InChIKeyAGIHFMCROVIPDX-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-3-propyloxane?
The IUPAC name of 2-propoxy-3-propyloxane (CID 89019415) is 2-propoxy-3-propyloxane.
What is the SMILES notation for 2-propoxy-3-propyloxane?
The canonical SMILES for 2-propoxy-3-propyloxane is CCCOC1OCCCC1CCC.
What is the InChIKey of 2-propoxy-3-propyloxane?
The InChIKey is AGIHFMCROVIPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-6-10-7-5-9-13-11(10)12-8-4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-propoxy-3-propyloxane?
2-propoxy-3-propyloxane has a molecular weight of 186.29 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-3-propyloxane is sourced from PubChem (CID 89019415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).