(4alpha,5beta,6alpha,7alpha,10alpha)-1-Aromadendrene
Basic information
- CAS
111821-79-5- Standard SMILES
CC1CCC2C(C3C1=CCC3C)C2(C)C- InChIKey
KDDAGEWDPAMROQ-UHFFFAOYSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
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Names & identifiers
- Preferred name
- (4alpha,5beta,6alpha,7alpha,10alpha)-1-Aromadendrene
- IUPAC
- 1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene
Names & synonyms
(4alpha,5beta,6alpha,7alpha,10alpha)-1-AromadendreneSCHEMBL31272527KDDAGEWDPAMROQ-UHFFFAOYSA-N1,1,4,7-tetramethyl-1H,1aH,2H,3H,4H,6H,7H,7aH,7bH-cyclopropa[e]azulene3,3,7,11-tetramethyl-tricyclo[6.3.0.0(2,4)]undec-8-ene1,1,4,7-Tetramethyl-1a,2,3,4,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene1H-Cycloprop[e]azulene, 1a,2,3,4,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-[1aR-(1aalpha,4alpha,7alpha,7abeta,7balpha)]-1a,2,3,4,6,7,7a,7b-Octahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene
Database identifiers
- CAS
111821-79-5- PubChem CID
- 579031
- Nikkaji
- J2.375.485A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 310
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
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Compound notes
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