2-tert-butyl-7-oxabicyclo[2.2.1]heptane

C10H18O — CID 23594586

IUPAC2-tert-butyl-7-oxabicyclo[2.2.1]heptane
SMILESCC(C)(C)C1CC2CCC1O2
InChIInChI=1S/C10H18O/c1-10(2,3)8-6-7-4-5-9(8)11-7/h7-9H,4-6H2,1-3H3
InChIKeyOAHZNYZBOJMBNV-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.60
Rot. Bonds

About 2-tert-butyl-7-oxabicyclo[2.2.1]heptane

2-tert-butyl-7-oxabicyclo[2.2.1]heptane (PubChem CID 23594586) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-tert-butyl-7-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-tert-butyl-7-oxabicyclo[2.2.1]heptane
PubChem CID23594586
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-tert-butyl-7-oxabicyclo[2.2.1]heptane
SMILESCC(C)(C)C1CC2CCC1O2
InChIInChI=1S/C10H18O/c1-10(2,3)8-6-7-4-5-9(8)11-7/h7-9H,4-6H2,1-3H3
InChIKeyOAHZNYZBOJMBNV-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-7-oxabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-oxabicyclo[2.2.1]heptane?
The IUPAC name of 2-tert-butyl-7-oxabicyclo[2.2.1]heptane (CID 23594586) is 2-tert-butyl-7-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-tert-butyl-7-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 2-tert-butyl-7-oxabicyclo[2.2.1]heptane is CC(C)(C)C1CC2CCC1O2.
What is the InChIKey of 2-tert-butyl-7-oxabicyclo[2.2.1]heptane?
The InChIKey is OAHZNYZBOJMBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2,3)8-6-7-4-5-9(8)11-7/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-7-oxabicyclo[2.2.1]heptane?
2-tert-butyl-7-oxabicyclo[2.2.1]heptane has a molecular weight of 154.25 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 23594586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).