2-Pentylfuran

C9H14OCAS 3777-69-3138.21 g/mol

Open in Covalent MOL file
O

Properties

Molecular formula
C9H14O
Molar mass
138.21 g/mol
Exact mass
138.1045 Da
Density
0.838 g/mL (at 19 °C)
Boiling point
64–65 °C (at 20.5 Torr)
logP
3.01Crippen estimate
Polar surface area
13.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 1,459 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, P501

Identifiers

CAS number
3777-69-3
SMILES
CCCCCc1ccco1
InChIKey
YVBAUDVGOFCUSG-UHFFFAOYSA-N
InChI
InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3

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Names and synonyms

4 names
  • Furan, 2-pentyl-
  • 2-n-Pentylfuran
  • 2-Amylfuran
  • Dihydro-5-pentyl-2(hydro)-furan

Work with 2-Pentylfuran

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-Heptylfuran3777-71-796 % similar 2-Butylfuran4466-24-488 % similar 2-Propylfuran4229-91-873 % similar 2-Ethylfuran3208-16-054 % similar 6-Amyl-α-pyrone27593-23-353 % similar Pentylbenzene538-68-150 % similar Furfuryl pentanoate36701-01-649 % similar Decylbenzene104-72-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Hydroxy-6,6-dimethyl-2-heptene-4-yne114311-70-5 Phorone504-20-1 2,3,4,5-Tetramethyl-2-cyclopentenone54458-61-6 Trans,cis-2,6-Nonadienal557-48-2 2,4-Nonadienal5910-87-2 Nona-2,4-dienal6750-03-4 Triplal68039-49-6 1-(1-Propynyl)cyclohexanol697-37-0

Elsewhere

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