Botrydienal
Basic information
- CAS
97165-23-6- Standard SMILES
C[C@@H]1CC=C2C(=C1C=O)[C@@](C)(C=O)CC2(C)C- InChIKey
CFAMAVBUWMXYLX-MEBBXXQBSA-N- Molecular formula
- C15H20O2
- Average molar mass
- 232.32 g/mol
- Monoisotopic mass
- 232.14632988
Overview
Botrydienal is an organooxygen compound.
Names & identifiers
- Preferred name
- Botrydienal
- IUPAC
- (1S,6R)-1,3,3,6-tetramethyl-5,6-dihydro-2H-indene-1,7-dicarbaldehyde
- English name
- (1S,6R)-1,3,3,6-Tetramethyl-2,3,5,6-tetrahydro-1H-indene-1,7-dicarbaldehyde
- Molecular formula
- C15H20O2
- Molecular weight
- 232.32
Names & synonyms
Botrydienal97165-23-6(1S,6R)-1,3,3,6-tetramethyl-5,6-dihydro-2H-indene-1,7-dicarbaldehyde1H-Indene-1,7-dicarboxaldehyde, 2,3,5,6-tetrahydro-1,3,3,6-tetramethyl-, (1S,6R)-RefChem:121087CHEMBL479146DTXSID30914085CHEBI:222692(1S,6R)-1,3,3,6-tetramethyl-2,3,5,6-tetrahydro-1H-indene-1,7-dicarbaldehyde1,3,3,6-Tetramethyl-2,3,5,6-tetrahydro-1H-indene-1,7-dicarbaldehyde1,3,3,6β-Tetramethyl-2,3,5,6-tetrahydro-1H-indene-1β,7-dicarbaldehyde(1S)-2,3,5,6-Tetrahydro-1,3,3,6β-tetramethyl-1H-indene-1β,7-dicarbaldehyde
Show more names
(1S,6R)-2,3,5,6-Tetrahydro-1,3,3,6-tetramethyl-1H-indene-1,7-dicarbaldehyde
Database identifiers
- CAS
97165-23-6- PubChem CID
- 176609
- DTXSID
DTXSID30914085- ChEMBL
CHEMBL479146- ChEBI
CHEBI:222692- Nikkaji
- J91.908J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 440
Physicochemical properties
- Boiling point
- 358.563 · 358.563±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.054 · 1.054±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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