4-(ethoxymethyl)-4-methyloxane

C9H18O2 — CID 123488468

IUPAC4-(ethoxymethyl)-4-methyloxane
SMILESCCOCC1(C)CCOCC1
InChIInChI=1S/C9H18O2/c1-3-10-8-9(2)4-6-11-7-5-9/h3-8H2,1-2H3
InChIKeyXMKJXJBYCIPGIZ-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.84
Rot. Bonds3

About 4-(ethoxymethyl)-4-methyloxane

4-(ethoxymethyl)-4-methyloxane (PubChem CID 123488468) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-(ethoxymethyl)-4-methyloxane.

Molecular Properties

Compound Name4-(ethoxymethyl)-4-methyloxane
PubChem CID123488468
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4-(ethoxymethyl)-4-methyloxane
SMILESCCOCC1(C)CCOCC1
InChIInChI=1S/C9H18O2/c1-3-10-8-9(2)4-6-11-7-5-9/h3-8H2,1-2H3
InChIKeyXMKJXJBYCIPGIZ-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-4-methyloxane?
The IUPAC name of 4-(ethoxymethyl)-4-methyloxane (CID 123488468) is 4-(ethoxymethyl)-4-methyloxane.
What is the SMILES notation for 4-(ethoxymethyl)-4-methyloxane?
The canonical SMILES for 4-(ethoxymethyl)-4-methyloxane is CCOCC1(C)CCOCC1.
What is the InChIKey of 4-(ethoxymethyl)-4-methyloxane?
The InChIKey is XMKJXJBYCIPGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-10-8-9(2)4-6-11-7-5-9/h3-8H2,1-2H3.
What are the key properties of 4-(ethoxymethyl)-4-methyloxane?
4-(ethoxymethyl)-4-methyloxane has a molecular weight of 158.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-4-methyloxane is sourced from PubChem (CID 123488468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).