As-Indacene, dodecahydro-4-(1-octylnonyl)-
Basic information
- CAS
55530-51-3- Standard SMILES
CCCCCCCCC(CCCCCCCC)C1CC2CCCC2C2CCCC12- InChIKey
JSKCOAYGYKRYTA-UHFFFAOYSA-N- Molecular formula
- C29H54
- Average molar mass
- 402.7 g/mol
- Monoisotopic mass
- 402.42255172
Names & identifiers
- Preferred name
- As-Indacene, dodecahydro-4-(1-octylnonyl)-
- IUPAC
- 4-heptadecan-9-yl-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydro-as-indacene
- English name
- Dodecahydro-4-(1-octylnonyl)-as-indacene
- Molecular formula
- C29H54
- Molecular weight
- 402.74
Names & synonyms
As-Indacene, dodecahydro-4-(1-octylnonyl)-55530-51-3DTXSID103046879-(4-as-Perhydroindacenyl)heptadecane9-(4'-as-Decahydroindacenyl)heptadecane5-(1'-n-Octylnonyl)-(dodecahydro(as)indacene)9-[4-as-Perhydroindacenyl]heptadecane9-[4'-as-Decahydroindacenyl]heptadecane5-(1'-n-Octylnonyl)-[dodecahydro(as)indacene]RefChem:114426DTXCID20255818JSKCOAYGYKRYTA-UHFFFAOYSA-N
Show more names
NSC166792Dodecahydro-4-(1-octylnonyl)-as-indaceneNSC-1667924-(1-Octylnonyl)dodecahydro-as-indacene #4-(Heptadecan-9-yl)dodecahydro-as-indaceneDB-254586
Database identifiers
- CAS
55530-51-3- PubChem CID
- 296574
- DTXSID
DTXSID10304687- Nikkaji
- J128.851B
Properties
Computed structural properties
- XLogP
- 13.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 15
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 396
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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