7-[(2-methylpropan-2-yl)oxy]-2-[7-[(2-methylpropan-2-yl)oxy]-2-bicyclo[2.2.1]hepta-2,5-dienyl]bicyclo[2.2.1]hepta-2,5-diene

C22H30O2 — CID 134832207

IUPAC7-[(2-methylpropan-2-yl)oxy]-2-[7-[(2-methylpropan-2-yl)oxy]-2-bicyclo[2.2.1]hepta-2,5-dienyl]bicyclo[2.2.1]hepta-2,5-diene
SMILESCC(C)(C)OC1C2C=CC1C(C1=CC3C=CC1C3OC(C)(C)C)=C2
InChIInChI=1S/C22H30O2/c1-21(2,3)23-19-13-7-9-15(19)17(11-13)18-12-14-8-10-16(18)20(14)24-22(4,5)6/h7-16,19-20H,1-6H3
InChIKeyAGKMJAAKSKCGPG-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.84
Rot. Bonds3

About 7-[(2-methylpropan-2-yl)oxy]-2-[7-[(2-methylpropan-2-yl)oxy]-2-bicyclo[2.2.1]hepta-2,5-dienyl]bicyclo[2.2.1]hepta-2,5-diene

7-[(2-methylpropan-2-yl)oxy]-2-[7-[(2-methylpropan-2-yl)oxy]-2-bicyclo[2.2.1]hepta-2,5-dienyl]bicyclo[2.2.1]hepta-2,5-diene (PubChem CID 134832207) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 7-[(2-methylpropan-2-yl)oxy]-2-[7-[(2-methylpropan-2-yl)oxy]-2-bicyclo[2.2.1]hepta-2,5-dienyl]bicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name7-[(2-methylpropan-2-yl)oxy]-2-[7-[(2-methylpropan-2-yl)oxy]-2-bicyclo[2.2.1]hepta-2,5-dienyl]bicyclo[2.2.1]hepta-2,5-diene
PubChem CID134832207
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name7-[(2-methylpropan-2-yl)oxy]-2-[7-[(2-methylpropan-2-yl)oxy]-2-bicyclo[2.2.1]hepta-2,5-dienyl]bicyclo[2.2.1]hepta-2,5-diene
SMILESCC(C)(C)OC1C2C=CC1C(C1=CC3C=CC1C3OC(C)(C)C)=C2
InChIInChI=1S/C22H30O2/c1-21(2,3)23-19-13-7-9-15(19)17(11-13)18-12-14-8-10-16(18)20(14)24-22(4,5)6/h7-16,19-20H,1-6H3
InChIKeyAGKMJAAKSKCGPG-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylpropan-2-yl)oxy]-2-[7-[(2-methylpropan-2-yl)oxy]-2-bicyclo[2.2.1]hepta-2,5-dienyl]bicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 7-[(2-methylpropan-2-yl)oxy]-2-[7-[(2-methylpropan-2-yl)oxy]-2-bicyclo[2.2.1]hepta-2,5-dienyl]bicyclo[2.2.1]hepta-2,5-diene (CID 134832207) is 7-[(2-methylpropan-2-yl)oxy]-2-[7-[(2-methylpropan-2-yl)oxy]-2-bicyclo[2.2.1]hepta-2,5-dienyl]bicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 7-[(2-methylpropan-2-yl)oxy]-2-[7-[(2-methylpropan-2-yl)oxy]-2-bicyclo[2.2.1]hepta-2,5-dienyl]bicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 7-[(2-methylpropan-2-yl)oxy]-2-[7-[(2-methylpropan-2-yl)oxy]-2-bicyclo[2.2.1]hepta-2,5-dienyl]bicyclo[2.2.1]hepta-2,5-diene is CC(C)(C)OC1C2C=CC1C(C1=CC3C=CC1C3OC(C)(C)C)=C2.
What is the InChIKey of 7-[(2-methylpropan-2-yl)oxy]-2-[7-[(2-methylpropan-2-yl)oxy]-2-bicyclo[2.2.1]hepta-2,5-dienyl]bicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is AGKMJAAKSKCGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-21(2,3)23-19-13-7-9-15(19)17(11-13)18-12-14-8-10-16(18)20(14)24-22(4,5)6/h7-16,19-20H,1-6H3.
What are the key properties of 7-[(2-methylpropan-2-yl)oxy]-2-[7-[(2-methylpropan-2-yl)oxy]-2-bicyclo[2.2.1]hepta-2,5-dienyl]bicyclo[2.2.1]hepta-2,5-diene?
7-[(2-methylpropan-2-yl)oxy]-2-[7-[(2-methylpropan-2-yl)oxy]-2-bicyclo[2.2.1]hepta-2,5-dienyl]bicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 326.48 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylpropan-2-yl)oxy]-2-[7-[(2-methylpropan-2-yl)oxy]-2-bicyclo[2.2.1]hepta-2,5-dienyl]bicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 134832207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).