1,7-Dimethyl-4-(propan-2-yl)bicyclo(3.2.1)oct-6-ene-6,8-dicarbaldehyde

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Basic information

CAS: 723-61-5
Standard SMILES: CC1=C(C=O)C2C(C(C)C)CCC1(C)C2C=O
InChIKey: VQXZGZPEZBQXFZ-UHFFFAOYSA-N
Molecular formula: C15H22O2
Average molar mass: 234.33 g/mol
Monoisotopic mass: 234.16197994

Overview

Helminthosporal is an aldehyde.

Names & identifiers

Preferred name: 1,7-Dimethyl-4-(propan-2-yl)bicyclo(3.2.1)oct-6-ene-6,8-dicarbaldehyde
IUPAC: 1,7-dimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-ene-6,8-dicarbaldehyde

Names & synonyms

DTXSID909930781,7-Dimethyl-4-(propan-2-yl)bicyclo(3.2.1)oct-6-ene-6,8-dicarbaldehyde1,7-Dimethyl-4-(propan-2-yl)bicyclo[3.2.1]oct-6-ene-6,8-dicarbaldehydeRefChem:1053572DTXCID701420137C09677AC1L9CPBCHEBI:5647Q27106849

Database identifiers

CAS: 723-61-5
PubChem CID: 442373
DTXSID: DTXSID90993078
ChEBI: CHEBI:5647

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 380

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Compound notes

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