chempirical

2,5-Dimethylheptane

C9H20CAS 2216-30-0128.26 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 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

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
2216-30-0
SMILES
CCC(C)CCC(C)C
InChIKey
HQZHQNKZOYIKQC-UHFFFAOYSA-N
InChI
InChI=1S/C9H20/c1-5-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3

Weigh it out

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

Work with 2,5-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dimethyloctane2051-30-171 % similar 3-Methylhexane589-34-457 % similar (±)-2,4-Dimethylhexane589-43-557 % similar 3-Methylpentane96-14-056 % similar 2,5-Dimethylhexane592-13-253 % similar 3-Methyl-1-pentanol589-35-552 % similar 3-Methylheptane589-81-152 % similar 3,5-Dimethylheptane926-82-950 % similar

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

Same formula

4,4-Dimethyl heptane1068-19-5 2,2,4,4-Tetramethylpentane1070-87-7 Nonane111-84-2 2,2,4-Trimethylhexane16747-26-5 (±)-2,4-Dimethylheptane2213-23-2 3-Methyloctane2216-33-3 2,3-Dimethylheptane3074-71-3 2-Methyloctane3221-61-2

Elsewhere

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