cis-3-Hexenyl formate
Properties
- Molecular formula
- C7H12O2
- Molar mass
- 128.17 g/mol
- Exact mass
- 128.0837 Da
- Density
- 0.9092 g/mL (at 20 °C)
- Boiling point
- 155 °C
- logP
- 1.52Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 5
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
Aggregated from 1,666 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
33467-73-1SMILES
CC/C=CCCOC=OInChIKey
XJHQVZQZUGLZLS-ARJAWSKDSA-NInChI
InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- 3-Hexen-1-ol, 1-formate, (3Z)-
- 3-Hexen-1-ol, formate, (Z)-
- 3-Hexen-1-ol, formate, (3Z)-
- (Z)-3-Hexen-1-yl formate
- (Z)-3-Hexenyl formate
- (Z)-Hex-3-enyl formate
- (3Z)-3-Hexenyl formate
Work with cis-3-Hexenyl formate
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
Propyl formate110-74-750 % similar
(Z)-4-Heptenal6728-31-048 % similar
Glycol diformate629-15-248 % similar
3-Hexenyl acetate1708-82-347 % similar
cis-3-Hexenyl acetate3681-71-847 % similar
Butyl formate592-84-746 % similar
cis-3-Hexenyl propionate33467-74-245 % similar
cis-6-Nonenal2277-19-245 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.