2-(2,2-dimethylpropyl)-3-oxabicyclo[3.1.1]heptane

C11H20O — CID 153373885

IUPAC2-(2,2-dimethylpropyl)-3-oxabicyclo[3.1.1]heptane
SMILESCC(C)(C)CC1OCC2CC1C2
InChIInChI=1S/C11H20O/c1-11(2,3)6-10-9-4-8(5-9)7-12-10/h8-10H,4-7H2,1-3H3
InChIKeyRZADVXOEJUSVAD-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.85
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-3-oxabicyclo[3.1.1]heptane

2-(2,2-dimethylpropyl)-3-oxabicyclo[3.1.1]heptane (PubChem CID 153373885) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-3-oxabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-3-oxabicyclo[3.1.1]heptane
PubChem CID153373885
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-(2,2-dimethylpropyl)-3-oxabicyclo[3.1.1]heptane
SMILESCC(C)(C)CC1OCC2CC1C2
InChIInChI=1S/C11H20O/c1-11(2,3)6-10-9-4-8(5-9)7-12-10/h8-10H,4-7H2,1-3H3
InChIKeyRZADVXOEJUSVAD-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-3-oxabicyclo[3.1.1]heptane?
The IUPAC name of 2-(2,2-dimethylpropyl)-3-oxabicyclo[3.1.1]heptane (CID 153373885) is 2-(2,2-dimethylpropyl)-3-oxabicyclo[3.1.1]heptane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-3-oxabicyclo[3.1.1]heptane?
The canonical SMILES for 2-(2,2-dimethylpropyl)-3-oxabicyclo[3.1.1]heptane is CC(C)(C)CC1OCC2CC1C2.
What is the InChIKey of 2-(2,2-dimethylpropyl)-3-oxabicyclo[3.1.1]heptane?
The InChIKey is RZADVXOEJUSVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-11(2,3)6-10-9-4-8(5-9)7-12-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-3-oxabicyclo[3.1.1]heptane?
2-(2,2-dimethylpropyl)-3-oxabicyclo[3.1.1]heptane has a molecular weight of 168.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-3-oxabicyclo[3.1.1]heptane is sourced from PubChem (CID 153373885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).