1,1,4,4,6-Pentamethyl-1,2,3,4-tetrahydronaphthalene

C₁₅H₂₂CAS 6683-48-3202.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₂₂
Molar mass: 202.34 g/mol
Exact mass: 202.1722 Da
Melting point: 29 °C
Boiling point: 78 °C (at 1.5 Torr)
logP: 4.34Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H412 Harmful to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6683-48-3

SMILES

Cc1ccc2c(c1)C(C)(C)CCC2(C)C

InChIKey

AISXBZVAYNUAKB-UHFFFAOYSA-N

InChI

InChI=1S/C15H22/c1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3/h6-7,10H,8-9H2,1-5H3

Weigh it out

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

Names and synonyms

3 names

Naphthalene, 1,2,3,4-tetrahydro-1,1,4,4,6-pentamethyl-
1,2,3,4-Tetrahydro-1,1,4,4,6-pentamethylnaphthalene
1,1,4,4,6-Pentamethyl-2,3-dihydronaphthalene

Work with 1,1,4,4,6-Pentamethyl-1,2,3,4-tetrahydronaphthalene

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

6-Bromo-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene27452-17-157 % similar 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-amine92050-16-357 % similar 1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene6683-46-154 % similar 2-tert-Butyl-4-methylphenol2409-55-442 % similar 3-Methyl-6-tert-butylphenol88-60-842 % similar 2,3,3,5-Tetramethyl-3H-indole25981-82-239 % similar 2-Chloro-4-methylbenzotrifluoride74483-46-838 % similar 2-Bromo-5-methylbenzotrifluoride261952-20-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook