Basic information
- Standard SMILES
CC[C@H]1CCC[C@@](C)(CO)[C@H]2C=C[C@H](C)[C@@H]12- InChIKey
HHMZGTLMFPVSNL-YTFOTSKYSA-N- Molecular formula
- C15H26O
- Average molar mass
- 222.37 g/mol
- Monoisotopic mass
- 222.19836545
Overview
[(1S,3aS,4R,8S,8aR)-8-ethyl-1,4-dimethyl-3a,5,6,7,8,8a-hexahydro-1H-azulen-4-yl]methanol has been reported in Ulva fasciata, Ulva linza, and Ulva lactuca with data available.
Names & identifiers
- Preferred name
- [(1S,3aS,4R,8S,8aR)-8-ethyl-1,4-dimethyl-3a,5,6,7,8,8a-hexahydro-1H-azulen-4-yl]methanol
- IUPAC
- [(1S,3aS,4R,8S,8aR)-8-ethyl-1,4-dimethyl-3a,5,6,7,8,8a-hexahydro-1H-azulen-4-yl]methanol
Names & synonyms
CHEMBL1164833
Database identifiers
- ChEMBL
CHEMBL1164833
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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