2,6-dimethyl-1,3-dioxocane

C8H16O2 — CID 67957151

IUPAC2,6-dimethyl-1,3-dioxocane
SMILESCC1CCOC(C)OCC1
InChIInChI=1S/C8H16O2/c1-7-3-5-9-8(2)10-6-4-7/h7-8H,3-6H2,1-2H3
InChIKeyFEMXTXVIURLSQY-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.80
Rot. Bonds

About 2,6-dimethyl-1,3-dioxocane

2,6-dimethyl-1,3-dioxocane (PubChem CID 67957151) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2,6-dimethyl-1,3-dioxocane.

Molecular Properties

Compound Name2,6-dimethyl-1,3-dioxocane
PubChem CID67957151
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2,6-dimethyl-1,3-dioxocane
SMILESCC1CCOC(C)OCC1
InChIInChI=1S/C8H16O2/c1-7-3-5-9-8(2)10-6-4-7/h7-8H,3-6H2,1-2H3
InChIKeyFEMXTXVIURLSQY-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,3-dioxocane?
The IUPAC name of 2,6-dimethyl-1,3-dioxocane (CID 67957151) is 2,6-dimethyl-1,3-dioxocane.
What is the SMILES notation for 2,6-dimethyl-1,3-dioxocane?
The canonical SMILES for 2,6-dimethyl-1,3-dioxocane is CC1CCOC(C)OCC1.
What is the InChIKey of 2,6-dimethyl-1,3-dioxocane?
The InChIKey is FEMXTXVIURLSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7-3-5-9-8(2)10-6-4-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-1,3-dioxocane?
2,6-dimethyl-1,3-dioxocane has a molecular weight of 144.21 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,3-dioxocane is sourced from PubChem (CID 67957151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).