Acetylcedrene
Properties
- Molecular formula
- C17H26O
- Molar mass
- 246.39 g/mol
- Exact mass
- 246.1984 Da
- logP
- 4.37Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
- Stereocentres
- R, R, R, Sin SMILES atom order
Hazards
Warning
- H317 May cause an allergic skin reaction91% of notifiers
- H400 Very toxic to aquatic life92.7% of notifiers
- H410 Very toxic to aquatic life with long lasting effects99.8% of notifiers
Aggregated from 1,858 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501
Identifiers
CAS number
32388-55-9SMILES
CC(=O)C1=C(C)[C@@H]2C[C@@]3(C1)[C@H](C)CC[C@H]3C2(C)CInChIKey
YBUIAJZFOGJGLJ-SWRJLBSHSA-NInChI
InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15+,17+/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Ethanone, 1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]-
- Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-, [3R-(3α,3aβ,7β,8aα)]-
- 1H-3a,7-Methanoazulene, ethanone deriv.
- 1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]ethanone
- Vertofix
- Acetyl-α-cedrene
- Lixetone
- 1-[(3R,3aR,7R,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl]ethan-1-one
- 1-((3R,3AR,7R,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethan-1-one
Work with Acetylcedrene
Similar compounds
(-)-Cedrene469-61-448 % similar
Cedryl acetate77-54-343 % similar
Cedrol77-53-235 % similar
(3R,3aS,6S,7R,8aS)-Octahydro-6-methoxy-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene19870-74-734 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.