Basic information
- CAS
55470-97-8- Standard SMILES
CC(CCC(CCCCC(CCC(C)CC(C)(C)C)CCC(C)CC(C)(C)C)CCC(C)CC(C)(C)C)CC(C)(C)C- InChIKey
ODRMXCPHVVYLHY-UHFFFAOYSA-N- Molecular formula
- C42H86
- Average molar mass
- 591.1 g/mol
- Monoisotopic mass
- 590.67295274
Names & identifiers
- Preferred name
- 2,2,4,15,17,17-Hexamethyl-7,12-bis(3,5,5-trimethylhexyl)octadecane
- IUPAC
- 2,2,4,15,17,17-hexamethyl-7,12-bis(3,5,5-trimethylhexyl)octadecane
- English name
- 2,2,4,15,17,17-Hexamethyl-7,12-bis(3,5,5-trimethylhexyl)octadecane
- Molecular formula
- C42H86
- Molecular weight
- 591.13
Names & synonyms
2,2,4,15,17,17-Hexamethyl-7,12-bis(3,5,5-trimethylhexyl)octadecane55470-97-8DTXSID60970816NSC 169760RefChem:242805DTXCID9013983422,2,4,15,17,17-Hexamethyl-7,12-di(3',5',5'-trimethylhexyl)octadecaneNSC169760Octadecane, 2,2,4,15,17,17-hexamethyl-7,12-bis(3,5,5-trimethylhexyl)-SCHEMBL31338965ODRMXCPHVVYLHY-UHFFFAOYSA-NNSC-169760
Show more names
DB-3233882,2,4,15,17,17-Hexamethyl-7,12-bis(3,5,5-trimethylhexyl)octadecane #2,4,15,17,17-Hexamethyl-7,12-di(3',5',5'-trimethylhexyl)octadecane7,12-di-(3,5,5-trimethyl-hexyl)-2,2,4,15,17,17-hexamethyl-octadecaneOctadecane,2,4,15,17,17-hexamethyl-7,12-bis(3,5,5-trimethylhexyl)-
Database identifiers
- CAS
55470-97-8- PubChem CID
- 41453
- DTXSID
DTXSID60970816- Nikkaji
- J123.231B
Properties
Computed structural properties
- XLogP
- 19.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 25
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 531
Physicochemical properties
- Melting point
- 62.95 °C · 62.95°C (estimate)
- Boiling point
- 543.81 °C · 543.81°C (estimate)
- Density
- 0.9163 · 0.9163 (estimate)
- refractive index
- 1.4528 · 1.4528 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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