2-(ethoxymethyl)-6-methyloxane

C9H18O2 — CID 135040416

IUPAC2-(ethoxymethyl)-6-methyloxane
SMILESCCOCC1CCCC(C)O1
InChIInChI=1S/C9H18O2/c1-3-10-7-9-6-4-5-8(2)11-9/h8-9H,3-7H2,1-2H3
InChIKeyXZNKLPNDQDLKRX-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.98
Rot. Bonds3

About 2-(ethoxymethyl)-6-methyloxane

2-(ethoxymethyl)-6-methyloxane (PubChem CID 135040416) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6-methyloxane.

Molecular Properties

Compound Name2-(ethoxymethyl)-6-methyloxane
PubChem CID135040416
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(ethoxymethyl)-6-methyloxane
SMILESCCOCC1CCCC(C)O1
InChIInChI=1S/C9H18O2/c1-3-10-7-9-6-4-5-8(2)11-9/h8-9H,3-7H2,1-2H3
InChIKeyXZNKLPNDQDLKRX-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-6-methyloxane?
The IUPAC name of 2-(ethoxymethyl)-6-methyloxane (CID 135040416) is 2-(ethoxymethyl)-6-methyloxane.
What is the SMILES notation for 2-(ethoxymethyl)-6-methyloxane?
The canonical SMILES for 2-(ethoxymethyl)-6-methyloxane is CCOCC1CCCC(C)O1.
What is the InChIKey of 2-(ethoxymethyl)-6-methyloxane?
The InChIKey is XZNKLPNDQDLKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-10-7-9-6-4-5-8(2)11-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-6-methyloxane?
2-(ethoxymethyl)-6-methyloxane has a molecular weight of 158.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-6-methyloxane is sourced from PubChem (CID 135040416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).