7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene

C11H18O — CID 12835247

IUPAC7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene
SMILESCC(C)(C)OC1C2C=CC1CC2
InChIInChI=1S/C11H18O/c1-11(2,3)12-10-8-4-5-9(10)7-6-8/h4-5,8-10H,6-7H2,1-3H3
InChIKeyUMDQECVVQDRXIA-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.77
Rot. Bonds1

About 7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene

7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene (PubChem CID 12835247) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene
PubChem CID12835247
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene
SMILESCC(C)(C)OC1C2C=CC1CC2
InChIInChI=1S/C11H18O/c1-11(2,3)12-10-8-4-5-9(10)7-6-8/h4-5,8-10H,6-7H2,1-3H3
InChIKeyUMDQECVVQDRXIA-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene (CID 12835247) is 7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene is CC(C)(C)OC1C2C=CC1CC2.
What is the InChIKey of 7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene?
The InChIKey is UMDQECVVQDRXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-11(2,3)12-10-8-4-5-9(10)7-6-8/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene?
7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene has a molecular weight of 166.26 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 12835247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).