Non-3-yn-1-ol
Properties
- Molecular formula
- C9H16O
- Molar mass
- 140.23 g/mol
- Exact mass
- 140.1201 Da
- Density
- 0.8837 g/mL (at 17 °C)
- Boiling point
- 103–103.5 °C
- logP
- 1.95Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
31333-13-8SMILES
CCCCCC#CCCOInChIKey
TZZVRLFUTNYDEG-UHFFFAOYSA-NInChI
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h10H,2-5,8-9H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
1 names
- 3-Nonyn-1-ol
Work with Non-3-yn-1-ol
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
3-Decyn-1-ol51721-39-295 % similar
3-Octyn-1-ol14916-80-486 % similar
7-Hexadecyn-1-ol822-21-978 % similar
11-Hexadecyn-1-ol65686-49-971 % similar
6-Dodecyne6975-99-170 % similar
3-Heptyn-1-ol14916-79-168 % similar
2-Octyn-1-ol20739-58-667 % similar
5-Undecyne2294-72-667 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds