2-(2-methylpropyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

C10H12O — CID 19795452

IUPAC2-(2-methylpropyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCC(C)Cc1cc2ccc1o2
InChIInChI=1S/C10H12O/c1-7(2)5-8-6-9-3-4-10(8)11-9/h3-4,6-7H,5H2,1-2H3
InChIKeyAYVNTYCHWNTJOS-UHFFFAOYSA-N
MW148.20 g/mol
LogP3.07
Rot. Bonds2

About 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

2-(2-methylpropyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (PubChem CID 19795452) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.

Molecular Properties

Compound Name2-(2-methylpropyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
PubChem CID19795452
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name2-(2-methylpropyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCC(C)Cc1cc2ccc1o2
InChIInChI=1S/C10H12O/c1-7(2)5-8-6-9-3-4-10(8)11-9/h3-4,6-7H,5H2,1-2H3
InChIKeyAYVNTYCHWNTJOS-UHFFFAOYSA-N
XLogP3.07
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The IUPAC name of 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (CID 19795452) is 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.
What is the SMILES notation for 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The canonical SMILES for 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is CC(C)Cc1cc2ccc1o2.
What is the InChIKey of 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The InChIKey is AYVNTYCHWNTJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-7(2)5-8-6-9-3-4-10(8)11-9/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
2-(2-methylpropyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene has a molecular weight of 148.20 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is sourced from PubChem (CID 19795452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).