3,3-Dimethyloctane

C₁₀H₂₂CAS 4110-44-5142.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₂₂
Molar mass: 142.29 g/mol
Exact mass: 142.1722 Da
logP: 4.00Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

4110-44-5

SMILES

CCCCCC(C)(C)CC

InChIKey

DBULLUBYDONGLT-UHFFFAOYSA-N

InChI

InChI=1S/C10H22/c1-5-7-8-9-10(3,4)6-2/h5-9H2,1-4H3

Weigh it out

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

Work with 3,3-Dimethyloctane

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

3,3-Dimethylheptane4032-86-485 % similar 3-Methyl-3-octanol5340-36-352 % similar 3-Methyl-3-nonanol21078-72-850 % similar 3,3-Dimethylpentane562-49-250 % similar 1,1-Dimethylcyclohexane590-66-948 % similar 4,4-Dimethyl heptane1068-19-545 % similar tert-Nonyl mercaptan25360-10-544 % similar 4-Methyl-4-nonanol23418-38-443 % similar

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

Same formula

2,7-Dimethyloctane1072-16-8 Decane124-18-5 4,4-Dimethyloctane15869-95-1 (±)-4-Methylnonane17301-94-9 2,6-Dimethyloctane2051-30-1 2-Methylnonane871-83-0

Elsewhere

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