(3S,3aR,8aR)-1,2,3,3a,6,7,8,8a-Octahydro-8a-methyl-3-(1-methylethyl)-8-(1-methylethylidene)-5-azulenecarboxaldehyde
Basic information
- CAS
288401-49-0- Standard SMILES
CC(C)=C1CCC(C=O)=C[C@H]2[C@H](C(C)C)CC[C@@]12C- InChIKey
DWVUTRWNSSSKEN-SZMVWBNQSA-N- Molecular formula
- C18H28O
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.21401551
Names & identifiers
- Preferred name
- (3S,3aR,8aR)-1,2,3,3a,6,7,8,8a-Octahydro-8a-methyl-3-(1-methylethyl)-8-(1-methylethylidene)-5-azulenecarboxaldehyde
- IUPAC
- (3S,3aR,8aR)-8a-methyl-3-propan-2-yl-8-propan-2-ylidene-1,2,3,3a,6,7-hexahydroazulene-5-carbaldehyde
Names & synonyms
DTXSID001106566(3S,3aR,8aR)-1,2,3,3a,6,7,8,8a-Octahydro-8a-methyl-3-(1-methylethyl)-8-(1-methylethylidene)-5-azulenecarboxaldehyde288401-49-0
Database identifiers
- CAS
288401-49-0- PubChem CID
- 165367233
- DTXSID
DTXSID001106566
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 423
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Related reactions
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Compound notes
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