2-methoxy-4,6-dimethyloxane

C8H16O2 — CID 12740303

IUPAC2-methoxy-4,6-dimethyloxane
SMILESCOC1CC(C)CC(C)O1
InChIInChI=1S/C8H16O2/c1-6-4-7(2)10-8(5-6)9-3/h6-8H,4-5H2,1-3H3
InChIKeyPZNDTMPREWWZNE-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.79
Rot. Bonds1

About 2-methoxy-4,6-dimethyloxane

2-methoxy-4,6-dimethyloxane (PubChem CID 12740303) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-methoxy-4,6-dimethyloxane.

Molecular Properties

Compound Name2-methoxy-4,6-dimethyloxane
PubChem CID12740303
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-methoxy-4,6-dimethyloxane
SMILESCOC1CC(C)CC(C)O1
InChIInChI=1S/C8H16O2/c1-6-4-7(2)10-8(5-6)9-3/h6-8H,4-5H2,1-3H3
InChIKeyPZNDTMPREWWZNE-UHFFFAOYSA-N
XLogP1.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-dimethyloxane?
The IUPAC name of 2-methoxy-4,6-dimethyloxane (CID 12740303) is 2-methoxy-4,6-dimethyloxane.
What is the SMILES notation for 2-methoxy-4,6-dimethyloxane?
The canonical SMILES for 2-methoxy-4,6-dimethyloxane is COC1CC(C)CC(C)O1.
What is the InChIKey of 2-methoxy-4,6-dimethyloxane?
The InChIKey is PZNDTMPREWWZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6-4-7(2)10-8(5-6)9-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-4,6-dimethyloxane?
2-methoxy-4,6-dimethyloxane has a molecular weight of 144.21 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,6-dimethyloxane is sourced from PubChem (CID 12740303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).