1-Geranylazacycloheptan-2-one
Basic information
- CAS
110261-29-5- Standard SMILES
CC(C)=CCC/C(C)=C/CN1CCCCCC1=O- InChIKey
IZUPQLMOLYRSQK-RVDMUPIBSA-N- Molecular formula
- C16H27NO
- Average molar mass
- 249.39 g/mol
- Monoisotopic mass
- 249.20926449
Overview
RN given refers to cpd without isomeric designation; structure given in first source
Names & identifiers
- Preferred name
- 1-Geranylazacycloheptan-2-one
- IUPAC
- 1-[(2E)-3,7-dimethylocta-2,6-dienyl]azepan-2-one
Names & synonyms
1-Geranylazacycloheptan-2-one1-Gacho117694-76-5DTXSID101347783RefChem:907604DTXCID001776517110261-29-51-(3,7-Dimethylocta-2,6-dien-1-yl)azepan-2-one1-Geranylazacyclohepan-2-one1-[(2E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL]AZEPAN-2-ONE1-[(2E)-3,7-dimethylocta-2,6-dienyl]azepan-2-onel-geranylazacycloheptan-2-one
Show more names
SCHEMBL121342N-(3,7-DIMETHYL-2,6-OCTADIENYL)-CAPROLACTAM2H-Azepin-2-one, 1-(3,7-dimethyl-2,6-octadienyl)hexahydro-
Database identifiers
- CAS
110261-29-5、117694-76-5- PubChem CID
- 6441192
- DTXSID
DTXSID101347783- Nikkaji
- J325.990K、J354.822H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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