3-(Chloromethyl)heptane

C₈H₁₇ClCAS 123-04-6148.67 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₇Cl
Molar mass: 148.67 g/mol
Exact mass: 148.1019 Da
Boiling point: 172 °C
logP: 3.44Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Identifiers

CAS number

123-04-6

SMILES

CCCCC(CC)CCl

InChIKey

WLVCBAMXYMWGLJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3

Weigh it out

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

Names and synonyms

4 names

Heptane, 3-(chloromethyl)-
2-Ethylhexyl chloride
1-Chloro-2-ethylhexane
NSC 8883

Work with 3-(Chloromethyl)heptane

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-Ethylhexylamine104-75-656 % similar 2-Ethylhexanol104-76-756 % similar Bis(2-ethylhexyl)amine106-20-756 % similar Tris(2-ethylhexyl)amine1860-26-056 % similar 2-Ethylhexyl bromide18908-66-256 % similar 2-Ethyl-1-hexanethiol7341-17-556 % similar Dichlorobis(2-ethylhexyl)silane1089687-03-555 % similar Butylcyclopentane2040-95-152 % similar

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

Same formula

1-Chlorooctane111-85-3

Elsewhere

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