Zonarene
Basic information
- Standard SMILES
CC1=CC2=C(C(C)C)CC[C@H](C)C2CC1- InChIKey
FIAKMTRUEKZMNO-NBFOIZRFSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
Zonarene is a sesquiterpene that is 1,2,3,7,8,8a-hexahydronaphthalene which is substituted at positions 1 and 6 by methyl groups and at position 4 by an isopropyl group (the 1S-isomer). It has a role as a volatile oil component, a plant metabolite and a fungal metabolite. It is a member of hexahydronaphthalenes and a sesquiterpene.
Names & identifiers
- Preferred name
- Zonarene
- IUPAC
- (1S)-1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene
Names & synonyms
ZonareneRefChem:196232(1S)-1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene36437-95-3FIAKMTRUEKZMNO-JSGCOSHPSA-NFIAKMTRUEKZMNO-NBFOIZRFSA-NSCHEMBL29477279CHEBI:228360DTXSID001357993Q67880159
Database identifiers
- PubChem CID
- 6428488
- DTXSID
DTXSID001357993- ChEBI
CHEBI:228360
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 304
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…