Azulene, 2-methyl-5-(1-methylethyl)-
Basic information
- CAS
114622-44-5- Standard SMILES
Cc1cc2cccc(C(C)C)cc-2c1- InChIKey
NCYASJPJXZZJDE-UHFFFAOYSA-N- Molecular formula
- C14H16
- Average molar mass
- 184.28 g/mol
- Monoisotopic mass
- 184.12520051
Names & identifiers
- Preferred name
- Azulene, 2-methyl-5-(1-methylethyl)-
- IUPAC
- 2-methyl-5-propan-2-ylazulene
Names & synonyms
114622-44-5Azulene, 2-methyl-5-(1-methylethyl)-2-methyl-5-(propan-2-yl)azuleneSCHEMBL6915406DTXSID70450831
Database identifiers
- CAS
114622-44-5- PubChem CID
- 10986971
- DTXSID
DTXSID70450831- Nikkaji
- J672.850B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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