4-methyl-2,6-dioxabicyclo[3.2.1]octane

C7H12O2 — CID 143616702

IUPAC4-methyl-2,6-dioxabicyclo[3.2.1]octane
SMILESCC1COC2COC1C2
InChIInChI=1S/C7H12O2/c1-5-3-8-6-2-7(5)9-4-6/h5-7H,2-4H2,1H3
InChIKeyBSZMGUILDTWFQQ-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.81
Rot. Bonds

About 4-methyl-2,6-dioxabicyclo[3.2.1]octane

4-methyl-2,6-dioxabicyclo[3.2.1]octane (PubChem CID 143616702) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-methyl-2,6-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name4-methyl-2,6-dioxabicyclo[3.2.1]octane
PubChem CID143616702
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name4-methyl-2,6-dioxabicyclo[3.2.1]octane
SMILESCC1COC2COC1C2
InChIInChI=1S/C7H12O2/c1-5-3-8-6-2-7(5)9-4-6/h5-7H,2-4H2,1H3
InChIKeyBSZMGUILDTWFQQ-UHFFFAOYSA-N
XLogP0.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-dioxabicyclo[3.2.1]octane?
The IUPAC name of 4-methyl-2,6-dioxabicyclo[3.2.1]octane (CID 143616702) is 4-methyl-2,6-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for 4-methyl-2,6-dioxabicyclo[3.2.1]octane?
The canonical SMILES for 4-methyl-2,6-dioxabicyclo[3.2.1]octane is CC1COC2COC1C2.
What is the InChIKey of 4-methyl-2,6-dioxabicyclo[3.2.1]octane?
The InChIKey is BSZMGUILDTWFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-5-3-8-6-2-7(5)9-4-6/h5-7H,2-4H2,1H3.
What are the key properties of 4-methyl-2,6-dioxabicyclo[3.2.1]octane?
4-methyl-2,6-dioxabicyclo[3.2.1]octane has a molecular weight of 128.17 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 143616702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).