2,2,4,4-Tetramethylpentane

C₉H₂₀CAS 1070-87-7128.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₂₀
Molar mass: 128.26 g/mol
Exact mass: 128.1565 Da
logP: 3.47Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways100% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

1070-87-7

SMILES

CC(C)(C)CC(C)(C)C

InChIKey

GUMULFRCHLJNDY-UHFFFAOYSA-N

InChI

InChI=1S/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2,2,4,4-Tetramethylpentane

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2-Dimethylbutane75-83-243 % similar 2-Isocyano-2,4,4-trimethylpentane14542-93-942 % similar Neopentylamine5813-64-940 % similar 2,2,4,4,6-Pentamethylheptane62199-62-640 % similar 1-Bromo-2,2-dimethylpropane630-17-140 % similar 1-Chloro-2,2-dimethylpropane753-89-940 % similar 1,1,2,2-Tetramethylcyclopropane4127-47-338 % similar 2,2-Dimethylpentane590-35-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4,4-Dimethyl heptane1068-19-5 Nonane111-84-2 2,2,4-Trimethylhexane16747-26-5 (±)-2,4-Dimethylheptane2213-23-2 3-Methyloctane2216-33-3 2-Methyloctane3221-61-2 2,2,5-Trimethylhexane3522-94-9 3,3-Dimethylheptane4032-86-4

Elsewhere

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