3-methoxy-4,4-dimethyloxane

C8H16O2 — CID 23533609

IUPAC3-methoxy-4,4-dimethyloxane
SMILESCOC1COCCC1(C)C
InChIInChI=1S/C8H16O2/c1-8(2)4-5-10-6-7(8)9-3/h7H,4-6H2,1-3H3
InChIKeyNVMWTGHVOKHMRG-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.45
Rot. Bonds1

About 3-methoxy-4,4-dimethyloxane

3-methoxy-4,4-dimethyloxane (PubChem CID 23533609) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-methoxy-4,4-dimethyloxane.

Molecular Properties

Compound Name3-methoxy-4,4-dimethyloxane
PubChem CID23533609
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-methoxy-4,4-dimethyloxane
SMILESCOC1COCCC1(C)C
InChIInChI=1S/C8H16O2/c1-8(2)4-5-10-6-7(8)9-3/h7H,4-6H2,1-3H3
InChIKeyNVMWTGHVOKHMRG-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-Methylbutoxy)oxane
CID 14080834
3-Ethyl-1,2-dimethoxy-3-methylpentane
CID 18398352
3-(4,4-Dimethyloct-1-ynoxy)oxane
CID 20465597
3-(5,5-Dimethyloct-1-ynoxy)oxane
CID 20465634
1-Ethoxy-2-hydroperoxy-3,3-dimethylpentane
CID 20580287
2,3-Ditert-butyl-1,4-dioxane
CID 20805055
3-Propan-2-yloxyoxane
CID 21353722
2-Tert-butyl-1,4-dioxane
CID 23383453
3-(2-Methylpropoxy)oxane
CID 53758540
3-Propoxyoxane
CID 53765814
3-Butoxyoxane
CID 53966908
3-Pentoxyoxane
CID 54336380

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4,4-dimethyloxane?
The IUPAC name of 3-methoxy-4,4-dimethyloxane (CID 23533609) is 3-methoxy-4,4-dimethyloxane.
What is the SMILES notation for 3-methoxy-4,4-dimethyloxane?
The canonical SMILES for 3-methoxy-4,4-dimethyloxane is COC1COCCC1(C)C.
What is the InChIKey of 3-methoxy-4,4-dimethyloxane?
The InChIKey is NVMWTGHVOKHMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-8(2)4-5-10-6-7(8)9-3/h7H,4-6H2,1-3H3.
What are the key properties of 3-methoxy-4,4-dimethyloxane?
3-methoxy-4,4-dimethyloxane has a molecular weight of 144.21 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4,4-dimethyloxane is sourced from PubChem (CID 23533609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).