2-Heptylnaphthalene
Basic information
- CAS
2876-45-1- Standard SMILES
CCCCCCCc1ccc2ccccc2c1- InChIKey
ISVPANZFACDCFN-UHFFFAOYSA-N- Molecular formula
- C17H22
- Average molar mass
- 226.36 g/mol
- Monoisotopic mass
- 226.1721507
Names & identifiers
- Preferred name
- 2-Heptylnaphthalene
- IUPAC
- 2-heptylnaphthalene
Names & synonyms
2-heptylnaphthalene2-heptyl-naphthaleneNaphthalene, 2-heptyl-SCHEMBL598100SCHEMBL1610472SCHEMBL1970329SCHEMBL1971042SCHEMBL3281316SCHEMBL10316555DTXSID2010311592876-45-1
Database identifiers
- CAS
2876-45-1- PubChem CID
- 520389
- DTXSID
DTXSID201031159- Nikkaji
- J191.684J
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 196
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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