2-Heptenol
Properties
- Molecular formula
- C7H14O
- Molar mass
- 114.19 g/mol
- Exact mass
- 114.1045 Da
- Density
- 0.8426 g/mL (at 20 °C)
- Boiling point
- 178 °C
- logP
- 1.73Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 4
- Double bonds
- EE/Z, in SMILES order
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation11.4% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
33467-76-4SMILES
CCCC/C=C/COInChIKey
ASFYPVGAALGVNR-AATRIKPKSA-NInChI
InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h5-6,8H,2-4,7H2,1H3/b6-5+Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- trans-2-Hepten-1-ol
- 2-Hepten-1-ol, (2E)-
- 2-Hepten-1-ol, (E)-
- (2E)-2-Hepten-1-ol
- n-Hept-trans-2-en-1-ol
- (E)-2-Hepten-1-ol
- trans-2-Heptenol
Work with 2-Heptenol
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
Similar compounds
(E)-2-Octen-1-ol18409-17-186 % similar
trans-2-Nonen-1-ol31502-14-482 % similar
cis-2-Hexen-1-ol928-94-971 % similar
trans-2-Hexen-1-ol928-95-071 % similar
(5E)-5-Decene7433-56-968 % similar
cis-3-Octen-1-ol20125-84-265 % similar
2,4-Decadien-1-ol14507-02-964 % similar
(5E)-5-Decen-1-ol56578-18-863 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds