Basic information
- CAS
121843-89-8- Standard SMILES
CC1(C)CC2=C(C=O)[C@]3(C=O)C[C@]3(C)[C@@H](O)[C@@H]2C1- InChIKey
NFLNZGQBGCPDMT-DZGBDDFRSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Names & identifiers
- Preferred name
- Isomerulidial
- IUPAC
- (1aS,5aR,6S,6aS)-6-hydroxy-4,4,6a-trimethyl-3,5,5a,6-tetrahydro-1H-cyclopropa[f]indene-1a,2-dicarbaldehyde
- English name
- ISOMERULIDIAL
- Molecular formula
- C15H20O3
- Molecular weight
- 248.32
Names & synonyms
Isomerulidial121843-89-869HA64EN5M(1aS,5aR,6S,6aS)-6-hydroxy-4,4,6a-trimethyl-3,5,5a,6-tetrahydro-1H-cyclopropa[f]indene-1a,2-dicarbaldehydeCCRIS 2852UNII-69HA64EN5MCycloprop(f)indene-1a,2(1H)-dicarboxaldehyde, 3,4,5,5a,6,6a-hexahydro-6-hydroxy-4,4,6a-trimethyl-, (1aS-(1aalpha,5aalpha,6alpha,6aalpha))-DTXSID00923982(1AS,5AR,6S,6AS)-3,4,5,5A,6,6A-HEXAHYDRO-6-HYDROXY-4,4,6A-TRIMETHYLCYCLOPROP(F)INDENE-1A,2(1H)-DICARBOXALDEHYDE(1aS,5aR,6S,6aS)-6-Hydroxy-4,4,6a-trimethyl-3,4,5,5a,6,6a-hexahydrocyclopropa[f]indene-1a,2(1H)-dicarbaldehyde6-Hydroxy-4,4,6a-trimethyl-3,4,5,5a,6,6a-hexahydrocyclopropa[f]indene-1a,2(1H)-dicarbaldehydeCYCLOPROP(F)INDENE-1A,2(1H)-DICARBOXALDEHYDE, 3,4,5,5A,6,6A-HEXAHYDRO-6-HYDROXY-4,4,6A-TRIMETHYL-, (1AS,5AR,6S,6AS)-
Show more names
(1aS)-3,4,5,5aα,6,6a-Hexahydro-6α-hydroxy-4,4,6aα-trimethylcycloprop[f]indene-1aα,2(1H)-dicarbaldehyde
CYCLOPROP(F)INDENE-1A,2(1H)-DICARBOXALDEHYDE, 3,4,5,5A,6,6A-HEXAHYDRO-6-HYDROXY-4,4,6A-TRIMETHYL-, (1AS-(1A.ALPHA.,5A.ALPHA.,6.ALPHA.,6A.ALPHA.))-
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 476
Physicochemical properties
- FDA UNII
- 69 HA64EN5M · 69HA64EN5M
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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