α-Campholenal

C10H16OCAS 4501-58-0152.24 g/mol

Open in Covalent MOL file
O
AldehydeAlkene

Properties

Molecular formula
C10H16O
Molar mass
152.24 g/mol
Exact mass
152.1201 Da
Density
0.918–0.924 g/mL
Boiling point
68–70 °C (at 9 Torr)
logP
2.57Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,547 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
4501-58-0
SMILES
CC1=CC[C@H](CC=O)C1(C)C
InChIKey
OGCGGWYLHSJRFY-SECBINFHSA-N
InChI
InChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3/t9-/m1/s1

Weigh it out

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

Names and synonyms

17 names · show all
  • 3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-, (1R)-
  • 3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-, (R)-
  • α-Campholenaldehyde
  • (1R)-2,2,3-Trimethyl-3-cyclopentene-1-acetaldehyde
  • α-Campholenic aldehyde
  • α-Campholene aldehyde
  • (+)-α-Campholenaldehyde
  • (R)-α-Campholenic aldehyde
  • (+)-(R)-Campholenaldehyde
  • (+)-Campholenal
  • (+)-α-Campholenic aldehyde
  • (R)-(+)-Campholenic aldehyde
  • (+)-Campholenaldehyde
  • (+)-(R)-α-Campholenic aldehyde
  • (R)-Campholenal
  • 2-[(1R)-2,2,3-Trimethylcyclopent-3-en-1-yl]acetaldehyde
  • Alpha-Campholenal

Work with α-Campholenal

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

Bacdanol28219-61-653 % similar Ebanol67801-20-137 % similar Citric106-23-033 % similar (R)-Citronellal2385-77-533 % similar (+-)-Alpha-Pinene2437-95-833 % similar 3,5,5-Trimethylhexanal5435-64-333 % similar (S)-(-)-Citronellal5949-05-333 % similar (-)-α-Pinene7785-26-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

α-Pinene oxide1686-14-2 (-)-Perillyl alcohol18457-55-1 (-)-Myrtenol19894-97-4 (-)-cis-Carveol2102-59-2 (±)-Camphor21368-68-3 (1S,4R)-1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol22972-51-6 2,4-Decadienal2363-88-4 (E,E)-2,4-Decadienal25152-84-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook