Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
(1S,5S)-6,6-Dimethyl-2-methylidenebicyclo[3.1.1]heptane;1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzaldehyde;4-propan-2-ylcyclohexa-1,4-diene-1-carbaldehyde 6850782

Structure Other Information
Canonical SMILES CC1=CC=C(C=C1)C(C)C.CC(C)C1=CCC(=CC1)C=O.CC(C)C1=CC=C(C=C1)C=O.CC1(C2CCC(=C)C1C2)C
Iso SMILES CC1=CC=C(C=C1)C(C)C.CC(C)C1=CCC(=CC1)C=O.CC(C)C1=CC=C(C=C1)C=O.CC1([C@H]2CCC(=C)[C@@H]1C2)C
InChI InChI=1S/C10H14O.C10H12O.C10H16.C10H14/c2*1-8(2)10-5-3-9(7-11)4-6-10;1-7-4-5-8-6-9(7)10(8,2)3;1-8(2)10-6-4-9(3)5-7-10/h3,6-8H,4-5H2,1-2H3;3-8H,1-2H3;8-9H,1,4-6H2,2-3H3;4-8H,1-3H3/t;;8-,9-;/m..0./s1
InChI Key SVCMDSOPXZQYHJ-JUTAGNFQSA-N
Formula C40H56O2
Mol Weight 568.871
XlogP3 0
Charge 0

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Synonyms Information
CAS Name (1S,5S)-6,6-dimethyl-4-methylenebicyclo[3.1.1]heptane; 1-methyl-4-propan-2-ylbenzene; 4-propan-2-ylbenzaldehyde; 4-propan-2-yl-1-cyclohexa-1,4-dienecarboxaldehyde
IUPAC Name (1S,5S)-6,6-dimethyl-2-methylene-norpinane; 4-isopropylbenzaldehyde; 4-isopropylcyclohexa-1,4-diene-1-carbaldehyde; 1-isopropyl-4-methyl-benzene
Openeye Name (1S,5S)-6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane; 1-methyl-4-propan-2-ylbenzene; 4-propan-2-ylbenzaldehyde; 4-propan-2-ylcyclohexa-1,4-diene-1-carbaldehyde
Systematic Name (1S,5S)-6,6-dimethyl-4-methylidene-bicyclo[3.1.1]heptane; 1-methyl-4-propan-2-yl-benzene; 4-propan-2-ylbenzaldehyde; 4-propan-2-ylcyclohexa-1,4-diene-1-carbaldehyde
Tratitional Name (1S,5S)-6,6-dimethyl-4-methylidene-bicyclo[3.1.1]heptane; 1-methyl-4-propan-2-yl-benzene; 4-propan-2-ylbenzaldehyde; 4-propan-2-ylcyclohexa-1,4-diene-1-carbaldehyde