5-tert-butyl-3,6-dioxabicyclo[3.2.1]octane

C10H18O2 — CID 167376330

IUPAC5-tert-butyl-3,6-dioxabicyclo[3.2.1]octane
SMILESCC(C)(C)C12COCC(CO1)C2
InChIInChI=1S/C10H18O2/c1-9(2,3)10-4-8(6-12-10)5-11-7-10/h8H,4-7H2,1-3H3
InChIKeyDIJNSEOAHWNGLG-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.84
Rot. Bonds

About 5-tert-butyl-3,6-dioxabicyclo[3.2.1]octane

5-tert-butyl-3,6-dioxabicyclo[3.2.1]octane (PubChem CID 167376330) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 5-tert-butyl-3,6-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5-tert-butyl-3,6-dioxabicyclo[3.2.1]octane
PubChem CID167376330
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name5-tert-butyl-3,6-dioxabicyclo[3.2.1]octane
SMILESCC(C)(C)C12COCC(CO1)C2
InChIInChI=1S/C10H18O2/c1-9(2,3)10-4-8(6-12-10)5-11-7-10/h8H,4-7H2,1-3H3
InChIKeyDIJNSEOAHWNGLG-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3,6-dioxabicyclo[3.2.1]octane?
The IUPAC name of 5-tert-butyl-3,6-dioxabicyclo[3.2.1]octane (CID 167376330) is 5-tert-butyl-3,6-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for 5-tert-butyl-3,6-dioxabicyclo[3.2.1]octane?
The canonical SMILES for 5-tert-butyl-3,6-dioxabicyclo[3.2.1]octane is CC(C)(C)C12COCC(CO1)C2.
What is the InChIKey of 5-tert-butyl-3,6-dioxabicyclo[3.2.1]octane?
The InChIKey is DIJNSEOAHWNGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2,3)10-4-8(6-12-10)5-11-7-10/h8H,4-7H2,1-3H3.
What are the key properties of 5-tert-butyl-3,6-dioxabicyclo[3.2.1]octane?
5-tert-butyl-3,6-dioxabicyclo[3.2.1]octane has a molecular weight of 170.25 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3,6-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 167376330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).