1,3-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl-, oxime
Basic information
- CAS
6155-58-4- Standard SMILES
CC1=C(C=NO)C(C)(C)CC=C1- InChIKey
POYDEASPSJCUBW-UHFFFAOYSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Names & identifiers
- Preferred name
- 1,3-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl-, oxime
- IUPAC
- N-[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylidene]hydroxylamine
Names & synonyms
1,3-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl-, oximeDTXSID0064129RefChem:414165DTXCID80430746155-58-4
Database identifiers
- CAS
6155-58-4- PubChem CID
- 111161
- DTXSID
DTXSID0064129
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 259
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl-, oxime: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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