3-ethoxy-4-methyloxane

C8H16O2 — CID 142658101

IUPAC3-ethoxy-4-methyloxane
SMILESCCOC1COCCC1C
InChIInChI=1S/C8H16O2/c1-3-10-8-6-9-5-4-7(8)2/h7-8H,3-6H2,1-2H3
InChIKeyYHRQFVHQEYVPBU-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.45
Rot. Bonds2

About 3-ethoxy-4-methyloxane

3-ethoxy-4-methyloxane (PubChem CID 142658101) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-ethoxy-4-methyloxane.

Molecular Properties

Compound Name3-ethoxy-4-methyloxane
PubChem CID142658101
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-ethoxy-4-methyloxane
SMILESCCOC1COCCC1C
InChIInChI=1S/C8H16O2/c1-3-10-8-6-9-5-4-7(8)2/h7-8H,3-6H2,1-2H3
InChIKeyYHRQFVHQEYVPBU-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methyloxane?
The IUPAC name of 3-ethoxy-4-methyloxane (CID 142658101) is 3-ethoxy-4-methyloxane.
What is the SMILES notation for 3-ethoxy-4-methyloxane?
The canonical SMILES for 3-ethoxy-4-methyloxane is CCOC1COCCC1C.
What is the InChIKey of 3-ethoxy-4-methyloxane?
The InChIKey is YHRQFVHQEYVPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-10-8-6-9-5-4-7(8)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-ethoxy-4-methyloxane?
3-ethoxy-4-methyloxane has a molecular weight of 144.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methyloxane is sourced from PubChem (CID 142658101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).