4-ethyloxane

C7H14O — CID 21482444

IUPAC4-ethyloxane
SMILESCCC1CCOCC1
InChIInChI=1S/C7H14O/c1-2-7-3-5-8-6-4-7/h7H,2-6H2,1H3
InChIKeyCAARDVKATXZGKP-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.82
Rot. Bonds1

About 4-ethyloxane

4-ethyloxane (PubChem CID 21482444) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 4-ethyloxane.

Molecular Properties

Compound Name4-ethyloxane
PubChem CID21482444
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name4-ethyloxane
SMILESCCC1CCOCC1
InChIInChI=1S/C7H14O/c1-2-7-3-5-8-6-4-7/h7H,2-6H2,1H3
InChIKeyCAARDVKATXZGKP-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyloxane?
The IUPAC name of 4-ethyloxane (CID 21482444) is 4-ethyloxane.
What is the SMILES notation for 4-ethyloxane?
The canonical SMILES for 4-ethyloxane is CCC1CCOCC1.
What is the InChIKey of 4-ethyloxane?
The InChIKey is CAARDVKATXZGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-2-7-3-5-8-6-4-7/h7H,2-6H2,1H3.
What are the key properties of 4-ethyloxane?
4-ethyloxane has a molecular weight of 114.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloxane is sourced from PubChem (CID 21482444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).