4-methyl-1,3-dioxonane

C8H16O2 — CID 68561619

IUPAC4-methyl-1,3-dioxonane
SMILESCC1CCCCCOCO1
InChIInChI=1S/C8H16O2/c1-8-5-3-2-4-6-9-7-10-8/h8H,2-7H2,1H3
InChIKeyZKWNZSUTJLLLBL-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.94
Rot. Bonds

About 4-methyl-1,3-dioxonane

4-methyl-1,3-dioxonane (PubChem CID 68561619) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4-methyl-1,3-dioxonane.

Molecular Properties

Compound Name4-methyl-1,3-dioxonane
PubChem CID68561619
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4-methyl-1,3-dioxonane
SMILESCC1CCCCCOCO1
InChIInChI=1S/C8H16O2/c1-8-5-3-2-4-6-9-7-10-8/h8H,2-7H2,1H3
InChIKeyZKWNZSUTJLLLBL-UHFFFAOYSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-methyl-1,3-dioxane
CID 91314442
2-methyloxolane;oxolane
CID 69253648
2-methyloxane;hydrochloride
CID 141105834
2-methyloxane;propane
CID 171074580
ethane;methylcyclohexane;oxane
CID 143182173
1,3-dioxacycloheptadecane
CID 54126867
(2R)-2-methyl-1,4-dioxacyclopentadecane
CID 139946124
2-methyloxane sulfamate
CID 22223465
8-methyl-1,3-oxazocane
CID 23397004
1,3-dioxane;2-methyl-1,3-dioxane
CID 160690927
cyclopentane;1,3-dioxane;ethane
CID 159634844
1,3,6-trioxacyclohexadecane
CID 139860202

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dioxonane?
The IUPAC name of 4-methyl-1,3-dioxonane (CID 68561619) is 4-methyl-1,3-dioxonane.
What is the SMILES notation for 4-methyl-1,3-dioxonane?
The canonical SMILES for 4-methyl-1,3-dioxonane is CC1CCCCCOCO1.
What is the InChIKey of 4-methyl-1,3-dioxonane?
The InChIKey is ZKWNZSUTJLLLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-8-5-3-2-4-6-9-7-10-8/h8H,2-7H2,1H3.
What are the key properties of 4-methyl-1,3-dioxonane?
4-methyl-1,3-dioxonane has a molecular weight of 144.21 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dioxonane is sourced from PubChem (CID 68561619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).