1,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane

C8H14O2 — CID 123582497

IUPAC1,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane
SMILESCC1COC2(C)COC1C2
InChIInChI=1S/C8H14O2/c1-6-4-10-8(2)3-7(6)9-5-8/h6-7H,3-5H2,1-2H3
InChIKeyWBTSIBIGMUXLTO-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.20
Rot. Bonds

About 1,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane

1,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane (PubChem CID 123582497) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane
PubChem CID123582497
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane
SMILESCC1COC2(C)COC1C2
InChIInChI=1S/C8H14O2/c1-6-4-10-8(2)3-7(6)9-5-8/h6-7H,3-5H2,1-2H3
InChIKeyWBTSIBIGMUXLTO-UHFFFAOYSA-N
XLogP1.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane?
The IUPAC name of 1,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane (CID 123582497) is 1,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for 1,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane?
The canonical SMILES for 1,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane is CC1COC2(C)COC1C2.
What is the InChIKey of 1,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane?
The InChIKey is WBTSIBIGMUXLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-4-10-8(2)3-7(6)9-5-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 1,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane?
1,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane has a molecular weight of 142.20 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 123582497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).