(1s,4Ar,8ar)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarbaldehyde

HCID 73687

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Basic information

CAS: 33118-34-2
Standard SMILES: CC1(C)CCC[C@@]2(C)[C@H](C=O)C(C=O)=CC[C@H]12
InChIKey: AZJUJOFIHHNCSV-NFAWXSAZSA-N
Molecular formula: C15H22O2
Average molar mass: 234.33 g/mol
Monoisotopic mass: 234.16197994

Names & identifiers

Preferred name: (1s,4Ar,8ar)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarbaldehyde
IUPAC: (1S,4aR,8aR)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde

Names & synonyms

(1s,4ar,8ar)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarbaldehydeDTXSID509547415,5,8a-Trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarbaldehyde

Database identifiers

CAS: 33118-34-2
PubChem CID: 73687
DTXSID: DTXSID50954741

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 367

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