4-butyl-4-ethyloxane

C11H22O — CID 89395620

IUPAC4-butyl-4-ethyloxane
SMILESCCCCC1(CC)CCOCC1
InChIInChI=1S/C11H22O/c1-3-5-6-11(4-2)7-9-12-10-8-11/h3-10H2,1-2H3
InChIKeyZKPHOLXSQZWUIC-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds4

About 4-butyl-4-ethyloxane

4-butyl-4-ethyloxane (PubChem CID 89395620) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-butyl-4-ethyloxane.

Molecular Properties

Compound Name4-butyl-4-ethyloxane
PubChem CID89395620
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name4-butyl-4-ethyloxane
SMILESCCCCC1(CC)CCOCC1
InChIInChI=1S/C11H22O/c1-3-5-6-11(4-2)7-9-12-10-8-11/h3-10H2,1-2H3
InChIKeyZKPHOLXSQZWUIC-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-4-ethyloxane?
The IUPAC name of 4-butyl-4-ethyloxane (CID 89395620) is 4-butyl-4-ethyloxane.
What is the SMILES notation for 4-butyl-4-ethyloxane?
The canonical SMILES for 4-butyl-4-ethyloxane is CCCCC1(CC)CCOCC1.
What is the InChIKey of 4-butyl-4-ethyloxane?
The InChIKey is ZKPHOLXSQZWUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-5-6-11(4-2)7-9-12-10-8-11/h3-10H2,1-2H3.
What are the key properties of 4-butyl-4-ethyloxane?
4-butyl-4-ethyloxane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-ethyloxane is sourced from PubChem (CID 89395620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).