Tetramethyl acetyloctahydronaphthalenes

C₁₆H₂₆OCAS 54464-57-2234.38 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₂₆O
Molar mass: 234.38 g/mol
Exact mass: 234.1984 Da
logP: 4.52Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation84.7% of notifiers
H317 May cause an allergic skin reaction89.5% of notifiers
H410 Very toxic to aquatic life with long lasting effects75.2% of notifiers
H411 Toxic to aquatic life with long lasting effects24.8% of notifiers

Aggregated from 1,973 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

54464-57-2

SMILES

CC(=O)C1(C)CC2=C(CCCC2(C)C)CC1C

InChIKey

FVUGZKDGWGKCFE-UHFFFAOYSA-N

InChI

InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

19 names · show all

Ethanone, 1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)-
1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone
1′,2′,3′,4′,5′,6′,7′,8′-Octahydro-2′,3′,8′,8′-tetramethyl-2′-acetonaphthone
iso-E Super
Isocyclemone E
7-Acetyl-1,2,3,4,5,6,7,8-octahydro-1,1,6,7-tetramethylnaphthalene
Ambralux
Orbitone
OTNE
Amberonne
Iso ambois super
1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-acetonaphthone
Isocyclemone
2-Acetyl-2,3,8,8-tetramethyloctalin
1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one
1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethan-1-one
Ambrotone
1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone
1-(2,3,8,8-Tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone

Work with Tetramethyl acetyloctahydronaphthalenes

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

DIHYDRO-beta-IONONE17283-81-735 % similar 2,2-Dimethylcyclopentanone4541-32-633 % similar Beta-HOMOCYCLOCITRAL472-66-233 % similar Nootkatone4674-50-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4-Di-tert-amylphenol120-95-6 2,6-Di-tert-butyl-4-ethylphenol4130-42-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia