5-Butyl-6-hexyloctahydro-1H-indene
Basic information
- CAS
55044-36-5- Standard SMILES
CCCCCCC1CC2CCCC2CC1CCCC- InChIKey
AZGPNRBWIVZVPD-UHFFFAOYSA-N- Molecular formula
- C19H36
- Average molar mass
- 264.5 g/mol
- Monoisotopic mass
- 264.28170115
Names & identifiers
- Preferred name
- 5-Butyl-6-hexyloctahydro-1H-indene
- IUPAC
- 5-butyl-6-hexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
- English name
- 5-Butyl-6-hexyloctahydro-1H-indene
- Molecular formula
- C19H36
- Molecular weight
- 264.49
Names & synonyms
5-Butyl-6-hexyloctahydro-1H-indene55044-36-55-butyl-6-hexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene1H-Indene, 5-butyl-6-hexyloctahydro-SCHEMBL29023317DTXSID10873328AZGPNRBWIVZVPD-UHFFFAOYSA-N6-butyl-5-hexyloctahydro-1H-indene6-butyl-5-hexyl-octahydro-1H-indene5-Butyl-6-hexyloctahydro-1H-indene #Bicyclo[4.3.0]nonane, 3-butyl-4-hexyl-DB-317568
Show more names
NS000960421H-Indene, 5-butyl-6-hexyloctahydro- (9CI, ACI); 5-Butyl-6-hexyloctahydro-1H-indene (ACI); 5-Butyl-6-hexyloctahydroindene
Database identifiers
- CAS
55044-36-5- PubChem CID
- 535091
- DTXSID
DTXSID10873328- Nikkaji
- J105.031A
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 232
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 342.5 · 342.5±9.0 °C(Predicted)
- Density
- 0.839 · 0.839±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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