4-ethyl-4-propoxyoxane

C10H20O2 — CID 123771342

IUPAC4-ethyl-4-propoxyoxane
SMILESCCCOC1(CC)CCOCC1
InChIInChI=1S/C10H20O2/c1-3-7-12-10(4-2)5-8-11-9-6-10/h3-9H2,1-2H3
InChIKeyWJDXLVSVTWKSPE-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.37
Rot. Bonds4

About 4-ethyl-4-propoxyoxane

4-ethyl-4-propoxyoxane (PubChem CID 123771342) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-ethyl-4-propoxyoxane.

Molecular Properties

Compound Name4-ethyl-4-propoxyoxane
PubChem CID123771342
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-ethyl-4-propoxyoxane
SMILESCCCOC1(CC)CCOCC1
InChIInChI=1S/C10H20O2/c1-3-7-12-10(4-2)5-8-11-9-6-10/h3-9H2,1-2H3
InChIKeyWJDXLVSVTWKSPE-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-propoxyoxane?
The IUPAC name of 4-ethyl-4-propoxyoxane (CID 123771342) is 4-ethyl-4-propoxyoxane.
What is the SMILES notation for 4-ethyl-4-propoxyoxane?
The canonical SMILES for 4-ethyl-4-propoxyoxane is CCCOC1(CC)CCOCC1.
What is the InChIKey of 4-ethyl-4-propoxyoxane?
The InChIKey is WJDXLVSVTWKSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-7-12-10(4-2)5-8-11-9-6-10/h3-9H2,1-2H3.
What are the key properties of 4-ethyl-4-propoxyoxane?
4-ethyl-4-propoxyoxane has a molecular weight of 172.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-propoxyoxane is sourced from PubChem (CID 123771342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).