2,6-dipropoxyoxane

C11H22O3 — CID 524398

IUPAC2,6-dipropoxyoxane
SMILESCCCOC1CCCC(OCCC)O1
InChIInChI=1S/C11H22O3/c1-3-8-12-10-6-5-7-11(14-10)13-9-4-2/h10-11H,3-9H2,1-2H3
InChIKeyVFFAGSFTJRWPGJ-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.69
Rot. Bonds6

About 2,6-dipropoxyoxane

2,6-dipropoxyoxane (PubChem CID 524398) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2,6-dipropoxyoxane.

Molecular Properties

Compound Name2,6-dipropoxyoxane
PubChem CID524398
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2,6-dipropoxyoxane
SMILESCCCOC1CCCC(OCCC)O1
InChIInChI=1S/C11H22O3/c1-3-8-12-10-6-5-7-11(14-10)13-9-4-2/h10-11H,3-9H2,1-2H3
InChIKeyVFFAGSFTJRWPGJ-UHFFFAOYSA-N
XLogP2.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dipropoxyoxane?
The IUPAC name of 2,6-dipropoxyoxane (CID 524398) is 2,6-dipropoxyoxane.
What is the SMILES notation for 2,6-dipropoxyoxane?
The canonical SMILES for 2,6-dipropoxyoxane is CCCOC1CCCC(OCCC)O1.
What is the InChIKey of 2,6-dipropoxyoxane?
The InChIKey is VFFAGSFTJRWPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-8-12-10-6-5-7-11(14-10)13-9-4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 2,6-dipropoxyoxane?
2,6-dipropoxyoxane has a molecular weight of 202.29 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipropoxyoxane is sourced from PubChem (CID 524398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).