3,5-Dimethylheptane
Properties
- Molecular formula
- C9H20
- Molar mass
- 128.26 g/mol
- Exact mass
- 128.1565 Da
- Density
- 0.7199 g/mL (at 420 °C)
- Boiling point
- 136 °C
- logP
- 3.47Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 4
Hazards
Warning
- H226 Flammable liquid and vapor15.2% of notifiers
- H315 Causes skin irritation97.8% of notifiers
- H319 Causes serious eye irritation13% of notifiers
- H335 May cause respiratory irritation13% of notifiers
- H336 May cause drowsiness or dizziness13% of notifiers
- H400 Very toxic to aquatic life97.8% of notifiers
- H410 Very toxic to aquatic life with long lasting effects97.8% of notifiers
Aggregated from 46 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, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
926-82-9SMILES
CCC(C)CC(C)CCInChIKey
DZJTZGHZAWTWGA-UHFFFAOYSA-NInChI
InChI=1S/C9H20/c1-5-8(3)7-9(4)6-2/h8-9H,5-7H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
1 names
- Heptane, 3,5-dimethyl-
Work with 3,5-Dimethylheptane
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-Methylpentane96-14-071 % similar
(±)-2,4-Dimethylhexane589-43-571 % similar
1,3-Dimethylamylamine105-41-960 % similar
5-Methyl-3-heptanol18720-65-560 % similar
1,3,5-Trimethylcyclohexane1839-63-057 % similar
1-Bromo-2-methylbutane10422-35-253 % similar
2-Methyl-1-butanol137-32-653 % similar
(S)-2-Methyl-1-butanol1565-80-653 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.