2,2-Dimethylpentane
Properties
- Molecular formula
- C7H16
- Molar mass
- 100.20 g/mol
- Exact mass
- 100.1252 Da
- Density
- 0.6738 g/mL (at 20 °C)
- Melting point
- −123.8 °C
- Boiling point
- 79.2 °C
- logP
- 2.83Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H304 May be fatal if swallowed and enters airwaysAspiration hazard
- H315 Causes skin irritationSkin corrosion/irritation
- H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 601-008-00-2[7]), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
590-35-2SMILES
CCCC(C)(C)CInChIKey
CXOWYJMDMMMMJO-UHFFFAOYSA-NInChI
InChI=1S/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
1 names
- Pentane, 2,2-dimethyl-
Work with 2,2-Dimethylpentane
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
2,2-Dimethylhexane590-73-865 % similar
4,4-Dimethyl heptane1068-19-553 % similar
2-Methylpentan-2-ol590-36-345 % similar
4,4-Dimethyloctane15869-95-143 % similar
2-Methyl-2-propyl-1,3-propanediol78-26-243 % similar
1-Bromo-3,3-dimethylbutane1647-23-042 % similar
1-Chloro-3,3-dimethylbutane2855-08-542 % similar
3,3-Dimethyl-1-butanol624-95-342 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.