1,7-Octadiyne
Properties
- Molecular formula
- C8H10
- Molar mass
- 106.17 g/mol
- Exact mass
- 106.0783 Da
- Boiling point
- 135.5 °C
- logP
- 1.81Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation98.2% of notifiers
- H319 Causes serious eye irritation90.9% of notifiers
- H335 May cause respiratory irritation96.4% of notifiers
Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
871-84-1SMILES
C#CCCCCC#CInChIKey
DSOJWVLXZNRKCS-UHFFFAOYSA-NInChI
InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h1-2H,5-8H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- NSC 35135
- Octa-1,7-diyne
Work with 1,7-Octadiyne
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
1,9-Decadiyne1720-38-392 % similar
1,8-Nonadiyne2396-65-892 % similar
1,6-Heptadiyne2396-63-683 % similar
1,5-Hexadiyne628-16-067 % similar
6-Chloro-1-hexyne10297-06-065 % similar
1-Heptyne628-71-765 % similar
5-Hexyn-1-ol928-90-565 % similar
1-Undecyne2243-98-361 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds