Pentamethylbenzaldehyde

C12H16OCAS 17432-38-1176.26 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C12H16O
Molar mass
176.26 g/mol
Exact mass
176.1201 Da
logP
3.04Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
17432-38-1
SMILES
CC1=C(C(=C(C(=C1C)C)C=O)C)C
InChIKey
RWOZGGOKRKSHKN-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h6H,1-5H3

Weigh it out

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Work with Pentamethylbenzaldehyde

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

4-Methoxy-2,3,6-trimethylbenzaldehyde54344-92-243 % similar 2,6-Dimethylbenzaldehyde1123-56-442 % similar 2,4,6-Trimethylbenzaldehyde487-68-340 % similar Hexamethylbenzene87-85-440 % similar 2,3,5,6-Tetrafluoroterephthalaldehyde3217-47-838 % similar 4,6-Dichloro-2-methylpyrimidine-5-carbaldehyde14160-91-937 % similar 2,6-Dimethyl-4-hydroxybenzaldehyde70547-87-437 % similar Pentafluorobenzaldehyde653-37-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(1,1-Dimethylethoxy)-3-ethenylbenzene105612-79-1 4-Cyclohexylphenol1131-60-8 2-Cyclohexylphenol119-42-6 1-[2-Methyl-5-(1-methylethyl)phenyl]ethanone1202-08-0 1-Phenylcyclohexanol1589-60-2 1-(4-Methylphenyl)-1-pentanone1671-77-8 1-Phenyl-2-hexanone25870-62-6 1-Phenylhexan-3-one29898-25-7

Elsewhere

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