2-Pentyl-2-cyclopenten-1-one

C₁₀H₁₆OCAS 25564-22-1152.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₆O
Molar mass: 152.24 g/mol
Exact mass: 152.1201 Da
Density: 0.921 g/mL (at 20 °C)
Boiling point: 108 °C (at 10 Torr)
logP: 2.86Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Warning

H317 May cause an allergic skin reaction99.1% of notifiers

Aggregated from 117 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

25564-22-1

SMILES

CCCCCC1=CCCC1=O

InChIKey

ILHZVKAXFCDFMT-UHFFFAOYSA-N

InChI

InChI=1S/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h7H,2-6,8H2,1H3

Weigh it out

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

Names and synonyms

6 names

2-Cyclopenten-1-one, 2-pentyl-
2-Cyclopenten-1-one, 2-amyl-
2-Pentyl-2-cyclopentenone
2-Pentyl-1-cyclopenten-3-one
3-Oxo-2-pentyl-1-cyclopentene
2-(1-Pentyl)-2-cyclopenten-1-one

Work with 2-Pentyl-2-cyclopenten-1-one

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

2-(Hydroxymethyl)cyclopent-2-en-1-one68882-71-348 % similar 6-Undecanone927-49-145 % similar 11-Heneicosanone19781-72-743 % similar Hexyl ketone462-18-043 % similar 18-Pentatriacontanone504-53-043 % similar Nonyl ketone504-57-443 % similar 12-Tricosanone540-09-043 % similar 14-Heptacosanone542-50-743 % 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

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