chempirical

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. Search the SDS library

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-

Weigh it out

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

PubChem CAS Common Chemistry NIST WebBook