3-tert-butyl-6-oxabicyclo[3.2.0]hept-1(5)-ene

C10H16O — CID 164809247

IUPAC3-tert-butyl-6-oxabicyclo[3.2.0]hept-1(5)-ene
SMILESCC(C)(C)C1CC2=C(C1)OC2
InChIInChI=1S/C10H16O/c1-10(2,3)8-4-7-6-11-9(7)5-8/h8H,4-6H2,1-3H3
InChIKeyXFDSPQHWNJSPDY-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.73
Rot. Bonds

About 3-tert-butyl-6-oxabicyclo[3.2.0]hept-1(5)-ene

3-tert-butyl-6-oxabicyclo[3.2.0]hept-1(5)-ene (PubChem CID 164809247) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-tert-butyl-6-oxabicyclo[3.2.0]hept-1(5)-ene.

Molecular Properties

Compound Name3-tert-butyl-6-oxabicyclo[3.2.0]hept-1(5)-ene
PubChem CID164809247
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-tert-butyl-6-oxabicyclo[3.2.0]hept-1(5)-ene
SMILESCC(C)(C)C1CC2=C(C1)OC2
InChIInChI=1S/C10H16O/c1-10(2,3)8-4-7-6-11-9(7)5-8/h8H,4-6H2,1-3H3
InChIKeyXFDSPQHWNJSPDY-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-oxabicyclo[3.2.0]hept-1(5)-ene?
The IUPAC name of 3-tert-butyl-6-oxabicyclo[3.2.0]hept-1(5)-ene (CID 164809247) is 3-tert-butyl-6-oxabicyclo[3.2.0]hept-1(5)-ene.
What is the SMILES notation for 3-tert-butyl-6-oxabicyclo[3.2.0]hept-1(5)-ene?
The canonical SMILES for 3-tert-butyl-6-oxabicyclo[3.2.0]hept-1(5)-ene is CC(C)(C)C1CC2=C(C1)OC2.
What is the InChIKey of 3-tert-butyl-6-oxabicyclo[3.2.0]hept-1(5)-ene?
The InChIKey is XFDSPQHWNJSPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-10(2,3)8-4-7-6-11-9(7)5-8/h8H,4-6H2,1-3H3.
What are the key properties of 3-tert-butyl-6-oxabicyclo[3.2.0]hept-1(5)-ene?
3-tert-butyl-6-oxabicyclo[3.2.0]hept-1(5)-ene has a molecular weight of 152.24 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-oxabicyclo[3.2.0]hept-1(5)-ene is sourced from PubChem (CID 164809247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).