(1R,2R,4R,5R,6S)-4-methyl-7-methylidenetricyclo[4.3.2.01,5]undecane-2,5-diol
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Basic information
- CAS
783322-11-2- Standard SMILES
C=C1CC[C@@]23CC[C@@H]1[C@]2(O)[C@H](C)C[C@H]3O- InChIKey
WHPVCPRLRLPBGT-RXGFPQBGSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- (1R,2R,4R,5R,6S)-4-methyl-7-methylidenetricyclo[4.3.2.01,5]undecane-2,5-diol
- IUPAC
- (1R,2R,4R,5R,6S)-4-methyl-7-methylidenetricyclo[4.3.2.01,5]undecane-2,5-diol
- English name
- 3a,7-Ethano-3aH-indene-3,7a-diol,hexahydro-1-methyl-6-methylene-,(1R,3R,3aR,7S,7aR)-(9CI)
- Molecular formula
- C13H20O2
- Molecular weight
- 0
Names & synonyms
3a,7-Ethano-3aH-indene-3,7a-diol,hexahydro-1-methyl-6-methylene-,(1R,3R,3aR,7S,7aR)-(9CI)
Database identifiers
- CAS
783322-11-2- PubChem CID
- 45097127
- Nikkaji
- J2.089.223D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
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Compound notes
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