1H-Indole, 1-((2E)-3,7-dimethyl-2,6-octadien-1-yl)-
Basic information
- CAS
67845-48-1- Standard SMILES
CC(C)=CCC/C(C)=C/Cn1ccc2ccccc21- InChIKey
BRAYSEBRLMYPDQ-LFIBNONCSA-N- Molecular formula
- C18H23N
- Average molar mass
- 253.4 g/mol
- Monoisotopic mass
- 253.18304974
Names & identifiers
- Preferred name
- 1H-Indole, 1-((2E)-3,7-dimethyl-2,6-octadien-1-yl)-
- IUPAC
- 1-[(2E)-3,7-dimethylocta-2,6-dienyl]indole
- English name
- (E)-1-(3,7-dimethylocta-2,6-dienyl)-1H-indole
- Molecular formula
- C18H23N
- Molecular weight
- 253.38
Names & synonyms
Geranyl indoleEINECS 267-319-7DTXSID808869401H-Indole, 1-((2E)-3,7-dimethyl-2,6-octadienyl)-1H-Indole, 1-((2E)-3,7-dimethyl-2,6-octadien-1-yl)-1H-Indole, 1-[(2E)-3,7-dimethyl-2,6-octadienyl]-1H-Indole, 1-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-RefChem:438667DTXCID30102625667845-48-1(E)-1-(3,7-Dimethylocta-2,6-dienyl)-1H-indole1-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-1H-indole
Show more names
1-[(2E)-3,7-Dimethyl-2,6-octadienyl]-1H-indole
BRAYSEBRLMYPDQ-LFIBNONCSA-NNS00056445
Database identifiers
- CAS
67845-48-1- PubChem CID
- 6437147
- DTXSID
DTXSID80886940- EC Number
- 267-319-7
- Nikkaji
- J429.654K
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- EPA Substance Registry System
- 1 H-Indole, · 1H-Indole, 1-[(2E)-3,7-dimethyl-2,6-octadienyl]- (67845-48-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Indole, 1-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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