2,9-Dibromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undecan-3-ol
Basic information
- CAS
73494-22-1- Standard SMILES
C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@]12CCC(C)(Br)C(Cl)C2- InChIKey
JPQFUHCOKXIWBB-LJURCNODSA-N- Molecular formula
- C15H23Br2ClO
- Average molar mass
- 414.6 g/mol
- Monoisotopic mass
- 411.98042
Names & identifiers
- Preferred name
- 2,9-Dibromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undecan-3-ol
- IUPAC
- (3R,4S,6S)-4,9-dibromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecan-3-ol
Names & synonyms
CHEMBL1998798DTXSID00994258NSC710203NSC-710203NCI60_0387882,9-Dibromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undecan-3-ol(2S,3R,6S)-2,9-Dibromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undecan-3-ol(3R,4S,6S)-4,9-dibromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecan-3-olSpiro[5.5]undecan-3-ol,9-dibromo-8-chloro-1,1,9-trimethyl-5-methylene-, (2S,3R,6S,9S)-
Database identifiers
- CAS
73494-22-1- PubChem CID
- 399421
- DTXSID
DTXSID00994258- ChEMBL
CHEMBL1998798
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 398
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…