Basic information
- CAS
89780-06-3- Standard SMILES
COc1c(C=O)c(C)cc2c1C(C)(C)CCC2(C)C- InChIKey
WPUPOYSDTDHCGJ-UHFFFAOYSA-N- Molecular formula
- C17H24O2
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.17763001
Names & identifiers
- Preferred name
- 2-Naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-1-methoxy-3,5,5,8,8-pentamethyl-
- IUPAC
- 1-methoxy-3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde
Names & synonyms
2-Naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-1-methoxy-3,5,5,8,8-pentamethyl-89780-06-3DTXSID9072949RefChem:476390DTXCID5048681SCHEMBL59479451-methoxy-3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde2-formyl-1-methoxy-3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene2-formyl-5,6,7,8-tetrahydro-1-methoxy-3,5,5,8,8-pentamethylnaphthalene6-formyl-1,1,4,4,7-pentamethyl-5-methoxy-1,2,3,4-tetrahydronaphthalene1-methoxy-3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carboxaldehyde
Database identifiers
- CAS
89780-06-3- PubChem CID
- 174766
- DTXSID
DTXSID9072949- Nikkaji
- J592.252F
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: 2-Naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-1-methoxy-3,5,5,8,8-pentamethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-1-methoxy-3,5,5,8,8-pentamethyl-: INACTIVE
Related reactions
12 records
Compound notes
Loading…