2-propyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene

C9H10O — CID 175071405

IUPAC2-propyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene
SMILESCCCc1ccc2cc1O2
InChIInChI=1S/C9H10O/c1-2-3-7-4-5-8-6-9(7)10-8/h4-6H,2-3H2,1H3
InChIKeyYXQKTKWXOWKNPH-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.74
Rot. Bonds2

About 2-propyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene

2-propyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene (PubChem CID 175071405) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-propyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene.

Molecular Properties

Compound Name2-propyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene
PubChem CID175071405
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name2-propyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene
SMILESCCCc1ccc2cc1O2
InChIInChI=1S/C9H10O/c1-2-3-7-4-5-8-6-9(7)10-8/h4-6H,2-3H2,1H3
InChIKeyYXQKTKWXOWKNPH-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene?
The IUPAC name of 2-propyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene (CID 175071405) is 2-propyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene.
What is the SMILES notation for 2-propyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene?
The canonical SMILES for 2-propyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene is CCCc1ccc2cc1O2.
What is the InChIKey of 2-propyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene?
The InChIKey is YXQKTKWXOWKNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-2-3-7-4-5-8-6-9(7)10-8/h4-6H,2-3H2,1H3.
What are the key properties of 2-propyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene?
2-propyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene has a molecular weight of 134.18 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-triene is sourced from PubChem (CID 175071405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).