1-Iodohexadecane
Properties
- Molecular formula
- C16H33I
- Molar mass
- 352.34 g/mol
- Exact mass
- 352.1627 Da
- Density
- 1.1264 g/mL (at 20 °C)
- Melting point
- 22 °C
- Boiling point
- 212 °C
- logP
- 6.90Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 14
Hazards
Warning
- H315 Causes skin irritation97.5% of notifiers
- H319 Causes serious eye irritation97.5% of notifiers
- H335 May cause respiratory irritation95% of notifiers
- H400 Very toxic to aquatic life97.5% 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, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
544-77-4SMILES
CCCCCCCCCCCCCCCCIInChIKey
KMWHQYDMBYABKL-UHFFFAOYSA-NInChI
InChI=1S/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Hexadecane, 1-iodo-
- Cetyl iodide
- Hexadecyl iodide
Reactions
Work with 1-Iodohexadecane
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-Iododecane2050-77-3100 % similar
1-Iodoheptane4282-40-0100 % similar
1-Iodononane4282-42-2100 % similar
Undecyl iodide4282-44-4100 % similar
1-Iodododecane4292-19-7100 % similar
1-Iodooctane629-27-6100 % similar
1-Iodooctadecane629-93-6100 % similar
1-Iodohexane638-45-9100 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds