2,3-Dimethylpentane
Properties
- Molecular formula
- C7H16
- Molar mass
- 100.20 g/mol
- Exact mass
- 100.1252 Da
- Density
- 0.7117 g/mL (at 0 °C)
- Boiling point
- 89.7 °C
- logP
- 2.69Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 2
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[5]), 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
565-59-3SMILES
CCC(C)C(C)CInChIKey
WGECXQBGLLYSFP-UHFFFAOYSA-NInChI
InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Pentane, 2,3-dimethyl-
- 3,4-Dimethylpentane
- NSC 23696
- (±)-2,3-Dimethylpentane
Work with 2,3-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
3,4-Dimethylhexane583-48-267 % similar
2,3-Dimethylhexane584-94-150 % similar
3-Ethyl-2-methylpentane609-26-750 % similar
2,3-Dimethylheptane3074-71-345 % similar
2-Methylpentan-3-ol565-67-343 % similar
2,3-Dimethylpentanal32749-94-342 % similar
(2S,3S)-2-Amino-3-methyl-1-pentanol24629-25-240 % similar
Isopentane78-78-439 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds