exo-Tetrahydrodicyclopentadiene

C10H16CAS 2825-82-3136.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C10H16
Molar mass
136.24 g/mol
Exact mass
136.1252 Da
Density
0.9314 g/mL (at 25 °C)
Boiling point
185 °C
logP
2.83Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0
Stereocentres
R, S, R, Sin SMILES atom order

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
2825-82-3
SMILES
C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1
InChIKey
LPSXSORODABQKT-FIRGSJFUNA-N
InChI
InChI=1/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names
  • 4,7-Methano-1H-indene, octahydro-, (3aR,4S,7R,7aS)-rel-
  • 4,7-Methanoindan, hexahydro-, exo-
  • 4,7-Methano-1H-indene, octahydro-, (3aα,4β,7β,7aα)-
  • Rel-(3aR,4S,7R,7aS)-Octahydro-4,7-methano-1H-indene
  • exo-3,4,8,9-Tetrahydrodicyclopentadiene
  • exo-Tricyclo[5.2.1.02,6]decane
  • exo-Tetrahydrobicyclopentadiene
  • exo-5,6-Trimethylenenorbornane
  • exo-Trimethylenenorbornane
  • exo-Octahydro-4,7-methano-1H-indene
  • JP 10

Work with exo-Tetrahydrodicyclopentadiene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

endo-Tetrahydrodicyclopentadiene2825-83-4Diastereomer

Similar compounds

Housane185-94-450 % similar 1,3-Diisopropylcyclohexane7045-70-740 % similar 1,3-Cyclohexanediol504-01-837 % similar Bicyclobutane157-33-536 % similar (1,1'-Bi(cyclohexane))-2,2'-diol17385-36-335 % similar Decahydro-2-naphthalenol825-51-435 % similar Dicyclopropylmethanol14300-33-533 % similar Cyclobutanol2919-23-533 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Myrcene123-35-3 β-Pinene127-91-3 3-Carene13466-78-9 β-Ocimene13877-91-3 1-Methyl-4-prop-1-en-2-ylcyclohexene138-86-3 (-)-Beta-Pinene18172-67-3 (+-)-Alpha-Pinene2437-95-8 Adamantane281-23-2

Elsewhere

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