Tricyclo(1.1.1.01,3)pentane

C5H6CAS 35634-10-766.10 g/mol

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Properties

Molecular formula
C5H6
Molar mass
66.10 g/mol
Exact mass
66.0470 Da
logP
1.17Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
35634-10-7
SMILES
C1C23C1(C2)C3
InChIKey
ZTXSPLGEGCABFL-UHFFFAOYSA-N
InChI
InChI=1S/C5H6/c1-4-2-5(1,4)3-4/h1-3H2
Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+
[M + H]+ Calcd for C5H7 67.0542
[M + Na]+
[M + Na]+ Calcd for C5H6Na 89.0362
[M − H]−
[M − H]− Calcd for C5H5 65.0397
Elemental analysis
Anal. Calcd for C5H6: C, 90.85; H, 9.15.

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Names and synonyms

6 names
  • Tricyclo[1.1.1.01,3]pentane
  • (1.1.1)Propellane
  • 1.1.1-Propellane
  • Tricyclo[1.1.1.0(1,3)]pentane
  • [1.1.1] Propellane
  • [1.1.1]Propellane

Reactions

Work with Tricyclo(1.1.1.01,3)pentane

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

Same formula

Bicyclo(2.1.0)pent-2-ene5164-35-2 Cyclopentadiene542-92-7 Cyclopropylacetylene6746-94-7 2-Methyl-1-buten-3-yne78-80-8

Elsewhere

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