1-tert-butyl-8-oxabicyclo[3.2.1]octane

C11H20O — CID 20600672

IUPAC1-tert-butyl-8-oxabicyclo[3.2.1]octane
SMILESCC(C)(C)C12CCCC(CC1)O2
InChIInChI=1S/C11H20O/c1-10(2,3)11-7-4-5-9(12-11)6-8-11/h9H,4-8H2,1-3H3
InChIKeyATYAWGYHFFRXHS-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.13
Rot. Bonds

About 1-tert-butyl-8-oxabicyclo[3.2.1]octane

1-tert-butyl-8-oxabicyclo[3.2.1]octane (PubChem CID 20600672) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-tert-butyl-8-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-tert-butyl-8-oxabicyclo[3.2.1]octane
PubChem CID20600672
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-tert-butyl-8-oxabicyclo[3.2.1]octane
SMILESCC(C)(C)C12CCCC(CC1)O2
InChIInChI=1S/C11H20O/c1-10(2,3)11-7-4-5-9(12-11)6-8-11/h9H,4-8H2,1-3H3
InChIKeyATYAWGYHFFRXHS-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-8-oxabicyclo[3.2.1]octane?
The IUPAC name of 1-tert-butyl-8-oxabicyclo[3.2.1]octane (CID 20600672) is 1-tert-butyl-8-oxabicyclo[3.2.1]octane.
What is the SMILES notation for 1-tert-butyl-8-oxabicyclo[3.2.1]octane?
The canonical SMILES for 1-tert-butyl-8-oxabicyclo[3.2.1]octane is CC(C)(C)C12CCCC(CC1)O2.
What is the InChIKey of 1-tert-butyl-8-oxabicyclo[3.2.1]octane?
The InChIKey is ATYAWGYHFFRXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2,3)11-7-4-5-9(12-11)6-8-11/h9H,4-8H2,1-3H3.
What are the key properties of 1-tert-butyl-8-oxabicyclo[3.2.1]octane?
1-tert-butyl-8-oxabicyclo[3.2.1]octane has a molecular weight of 168.28 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-8-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 20600672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).