chempirical

2-Heptylfuran

C11H18OCAS 3777-71-7166.26 g/mol

Open in Covalent MOL file
O

Properties

Molecular formula
C11H18O
Molar mass
166.26 g/mol
Exact mass
166.1358 Da
Density
0.8794 g/mL (at 20 °C)
Boiling point
83–84 °C (at 11 Torr)
logP
3.79Crippen estimate
Polar surface area
13.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Hazards

Not classified as hazardous under GHS by 93 ECHA notifiers. Aggregated from 93 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
3777-71-7
SMILES
CCCCCCCc1ccco1
InChIKey
BHTUFJXTYNLISA-UHFFFAOYSA-N
InChI
InChI=1S/C11H18O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3

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Names and synonyms

2 names
  • Furan, 2-heptyl-
  • 2-n-Heptylfuran

Work with 2-Heptylfuran

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-Pentylfuran3777-69-396 % similar 2-Butylfuran4466-24-485 % similar 2-Propylfuran4229-91-870 % similar Decylbenzene104-72-352 % similar Hexylbenzene1077-16-352 % similar Heptylbenzene1078-71-352 % similar n-Nonylbenzene1081-77-252 % similar Dodecylbenzene123-01-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dihydrojasmone1128-08-1 2,4-Undecadienal30361-29-6 Beta-HOMOCYCLOCITRAL472-66-2 2-Methyl-2-adamantanol702-98-7 Tricyclo(3.3.1.1'3,7)dec-1-ylmethanol770-71-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook