2-tert-butyl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane

C11H20O — CID 70446653

IUPAC2-tert-butyl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane
SMILESCC(C)(C)C1OCC2C1C2(C)C
InChIInChI=1S/C11H20O/c1-10(2,3)9-8-7(6-12-9)11(8,4)5/h7-9H,6H2,1-5H3
InChIKeyTZXUCUCVHQISCE-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.70
Rot. Bonds

About 2-tert-butyl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane

2-tert-butyl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane (PubChem CID 70446653) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-tert-butyl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-tert-butyl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane
PubChem CID70446653
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-tert-butyl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane
SMILESCC(C)(C)C1OCC2C1C2(C)C
InChIInChI=1S/C11H20O/c1-10(2,3)9-8-7(6-12-9)11(8,4)5/h7-9H,6H2,1-5H3
InChIKeyTZXUCUCVHQISCE-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane?
The IUPAC name of 2-tert-butyl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane (CID 70446653) is 2-tert-butyl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 2-tert-butyl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 2-tert-butyl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane is CC(C)(C)C1OCC2C1C2(C)C.
What is the InChIKey of 2-tert-butyl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane?
The InChIKey is TZXUCUCVHQISCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2,3)9-8-7(6-12-9)11(8,4)5/h7-9H,6H2,1-5H3.
What are the key properties of 2-tert-butyl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane?
2-tert-butyl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane has a molecular weight of 168.28 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 70446653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).