3-Methyl-5-(3,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthyl)pent-2-en-1-al

HCID 89241

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Basic information

CAS: 19889-13-5
Standard SMILES: CC(=CC=O)CCC1=C(C)CCC2C(C)(C)CCCC12C
InChIKey: MXYNLAVXJVCXNM-UHFFFAOYSA-N
Molecular formula: C20H32O
Average molar mass: 288.5 g/mol
Monoisotopic mass: 288.24531564

Names & identifiers

Preferred name: 3-Methyl-5-(3,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthyl)pent-2-en-1-al
IUPAC: 5-(2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-2-enal

Names & synonyms

19889-13-53-Methyl-5-(3,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthyl)pent-2-en-1-alEINECS 243-401-8DTXSID00941742MXYNLAVXJVCXNM-UHFFFAOYSA-NNS000479643-methyl-5-(2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)pent-2-enal

Database identifiers

CAS: 19889-13-5
PubChem CID: 89241
DTXSID: DTXSID00941742
EC Number: 243-401-8

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 466

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