3-n-Decylperhydropyrene
Basic information
- CAS
55191-41-8- Standard SMILES
CCCCCCCCCCC1CCC2CCC3CCCC4CCC1C2C34- InChIKey
DEVZYFUPAIBVPP-UHFFFAOYSA-N- Molecular formula
- C26H46
- Average molar mass
- 358.6 g/mol
- Monoisotopic mass
- 358.35995147
Names & identifiers
- Preferred name
- 3-n-Decylperhydropyrene
- IUPAC
- 1-decyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene
- English name
- 1-Decylhexadecahydropyrene
- Molecular formula
- C26H46
- Molecular weight
- 358.64
Names & synonyms
3-n-DecylperhydropyrenePyrene, 1-decylhexadecahydro-55191-41-83-n-Decyl-(hexadecahydropyrene)DTXSID603010453-n-Decyl-[hexadecahydropyrene]RefChem:94990DTXCID10252179DEVZYFUPAIBVPP-UHFFFAOYSA-NNSC1407231-Decylhexadecahydropyrene #NSC-140723
Show more names
1-Decylhexadecahydropyrene
Database identifiers
- CAS
55191-41-8- PubChem CID
- 284645
- DTXSID
DTXSID60301045- Nikkaji
- J129.551I
Properties
Computed structural properties
- XLogP
- 11.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 412
Physicochemical properties
- Boiling point
- 451.9 · 451.9±12.0 °C(Predicted)
- Density
- 0.904 · 0.904±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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