1,7-Diisopropylnaphthalene
Basic information
- CAS
94133-80-9- Standard SMILES
CC(C)c1ccc2cccc(C(C)C)c2c1- InChIKey
XNSUVOOWWSAQMZ-UHFFFAOYSA-N- Molecular formula
- C16H20
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.15650064
Names & identifiers
- Preferred name
- 1,7-Diisopropylnaphthalene
- IUPAC
- 1,7-di(propan-2-yl)naphthalene
- English name
- 1,7-diisopropylnaphthalene
- Molecular formula
- C16H20
- Molecular weight
- 212.33
Names & synonyms
1,7-Diisopropylnaphthalene94133-80-96YU5DRB8PFDTXSID20240683RefChem:1053570DTXCID50163174302-743-91,7-di-iso-propylnaphthaleneUNII-6YU5DRB8PF1,7-di(propan-2-yl)naphthaleneEINECS 302-743-9SCHEMBL79573
Show more names
1,7-Bis(1-methylethyl)naphthalene
Naphthalene, 1,7-bis(1-methylethyl)-NS00040100Q27265733
Database identifiers
- CAS
94133-80-9- PubChem CID
- 3023652
- DTXSID
DTXSID20240683- UNII
- 6YU5DRB8PF
- EC Number
- 302-743-9
- Nikkaji
- J368.190D
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
Experimental & physicochemical properties
PolymersPolycyclic aromatic hydrocarbon
Physicochemical properties
- Boiling point
- 305.8 · 305.8±12.0 °C(Predicted)
- Density
- 0.949 · 0.949±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 7.8 · 7.8×10-3 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- FDA UNII
- 6 YU5DRB8PF · 6YU5DRB8PF
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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