chempirical

7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene

C11H16OCAS 877-06-5164.25 g/mol

Open in Covalent MOL file
O
AlkeneEther

Properties

Molecular formula
C11H16O
Molar mass
164.25 g/mol
Exact mass
164.1201 Da
logP
2.54Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
877-06-5
SMILES
CC(C)(C)OC1C2C=CC1C=C2
InChIKey
PTTSCAGWOHYHDN-UHFFFAOYSA-N
InChI
InChI=1S/C11H16O/c1-11(2,3)12-10-8-4-5-9(10)7-6-8/h4-10H,1-3H3

Weigh it out

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Names and synonyms

10 names
  • 7-[(2-Methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene
  • 7-tert-Butoxybicyclo[2.2.1]hepta-2,5-diene
  • 7-tert-Butoxynorbornadiene
  • 7-(tert-Butoxy)bicyclo[2.2.1]hepta-2,5-diene
  • 7-Norbornadienyl tert-butyl ether
  • 7-Norbornadienyl t-butyl ether
  • 7-tert-Butoxy-2,5-norbornadiene
  • 7-Norbornadadienyl t-butyl ether
  • 7-t-Butoxynorbornadiene
  • Bicyclo[2.2.1]hepta-2,5-diene, 7-(1,1-dimethylethoxy)-

Reactions

Work with 7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N-Dimethylformamide di-tert-butyl acetal36805-97-736 % similar tert-Butoxybis(dimethylamino)methane5815-08-736 % similar 1,1-Dimethylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate154970-45-331 % similar Di-tert-butyl peroxide110-05-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methyl-4-phenyl-2-butanol103-05-9 5-Phenyl-1-pentanol10521-91-2 4-Pentylphenol14938-35-3 1-Adamantanecarboxaldehyde2094-74-8 2-tert-Butyl-6-methylphenol2219-82-1 2-tert-Butyl-4-methylphenol2409-55-4 Jasmone488-10-8 4-tert-Butylanisole5396-38-3

Elsewhere

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