chempirical

Safranal

C10H14OCAS 116-26-7150.22 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C10H14O
Molar mass
150.22 g/mol
Exact mass
150.1045 Da
Melting point
below 25 °C
Boiling point
70 °C
logP
2.49Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
116-26-7
SMILES
CC1=C(C=O)C(C)(C)CC=C1
InChIKey
SGAWOGXMMPSZPB-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3

Weigh it out

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

Names and synonyms

8 names
  • 1,3-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl-
  • 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carboxaldehyde
  • 2,2,6-Trimethyl-4,6-cyclohexadien-1-aldehyde
  • 2,6,6-Trimethyl-1,3-cyclohexadiene-1-aldehyde
  • 2,6,6-Trimethylcyclohexa-1,3-dienecarboxaldehyde
  • 2,6,6-Trimethylcyclohexa-1,3-diene-1-carbaldehyde
  • 2,6,6-Trimethylcyclohexa-1,3-dienecarbaldehyde
  • 2,3-Dihydro-2,2,6-trimethylbenzaldehyde

Work with Safranal

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

2-Methyl-1-phenyl-2-propanol100-86-7 4-Propylanisole104-45-0 Butyl phenyl ether1126-79-0 (S)-Verbenone1196-01-6 4-Butylphenol1638-22-8 Perillaldehyde18031-40-8 1-Methoxy-2,3,5-trimethylbenzene20469-61-8 Perillaldehyde2111-75-3

Elsewhere

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