4-ethoxy-4-methyloxane

C8H16O2 — CID 88975220

IUPAC4-ethoxy-4-methyloxane
SMILESCCOC1(C)CCOCC1
InChIInChI=1S/C8H16O2/c1-3-10-8(2)4-6-9-7-5-8/h3-7H2,1-2H3
InChIKeyAGOHPTPGKWPXRZ-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds2

About 4-ethoxy-4-methyloxane

4-ethoxy-4-methyloxane (PubChem CID 88975220) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4-ethoxy-4-methyloxane.

Molecular Properties

Compound Name4-ethoxy-4-methyloxane
PubChem CID88975220
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4-ethoxy-4-methyloxane
SMILESCCOC1(C)CCOCC1
InChIInChI=1S/C8H16O2/c1-3-10-8(2)4-6-9-7-5-8/h3-7H2,1-2H3
InChIKeyAGOHPTPGKWPXRZ-UHFFFAOYSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-methyloxane?
The IUPAC name of 4-ethoxy-4-methyloxane (CID 88975220) is 4-ethoxy-4-methyloxane.
What is the SMILES notation for 4-ethoxy-4-methyloxane?
The canonical SMILES for 4-ethoxy-4-methyloxane is CCOC1(C)CCOCC1.
What is the InChIKey of 4-ethoxy-4-methyloxane?
The InChIKey is AGOHPTPGKWPXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-10-8(2)4-6-9-7-5-8/h3-7H2,1-2H3.
What are the key properties of 4-ethoxy-4-methyloxane?
4-ethoxy-4-methyloxane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-methyloxane is sourced from PubChem (CID 88975220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).