1,6-Heptadiyne

C₇H₈CAS 2396-63-692.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₈
Molar mass: 92.14 g/mol
Exact mass: 92.0626 Da
Density: 0.8164 g/mL (at 17 °C)
Melting point: −85 °C
Boiling point: 112 °C
logP: 1.42Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways24.5% of notifiers

Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

2396-63-6

SMILES

C#CCCCC#C

InChIKey

RSPZSDWVQWRAEF-UHFFFAOYSA-N

InChI

InChI=1S/C7H8/c1-3-5-7-6-4-2/h1-2H,5-7H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

1 names

NSC 353895

Work with 1,6-Heptadiyne

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

1,7-Octadiyne871-84-183 % similar 1,9-Decadiyne1720-38-377 % similar 1,8-Nonadiyne2396-65-877 % similar 1,5-Hexadiyne628-16-067 % similar 5-Hexynenitrile14918-21-965 % similar 5-Chloro-1-pentyne14267-92-659 % similar 4-Pentyn-1-ol5390-04-559 % similar 1-Hexyne693-02-759 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Toluene108-88-3 Norbornadiene121-46-0 Toluene-D82037-26-5 Quadricyclane278-06-8 Cycloheptatriene544-25-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook