3,3-Bis(methoxymethyl)-2,6-dimethylheptane

C₁₃H₂₈O₂CAS 129228-11-1216.36 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₂₈O₂
Molar mass: 216.36 g/mol
Exact mass: 216.2089 Da
logP: 3.36Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 8

Identifiers

CAS number

129228-11-1

SMILES

COCC(CCC(C)C)(COC)C(C)C

InChIKey

BHPDSAAGSUWVMP-UHFFFAOYSA-N

InChI

InChI=1S/C13H28O2/c1-11(2)7-8-13(9-14-5,10-15-6)12(3)4/h11-12H,7-10H2,1-6H3

Weigh it out

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

Names and synonyms

7 names

Heptane, 3,3-bis(methoxymethyl)-2,6-dimethyl-
2-Isopentyl-2-isopropyl-1,3-dimethoxypropane
1,3-Dimethoxy-2-isoamyl-2-isopropylpropane
1,3-Dimethoxy-2-isopentyl-2-isopropylpropane
2-Isopropyl-2-isopentyl-1,3-dimethoxypropane
2-Isopropyl-2-isoamyl-1,3-dimethoxypropane
2-Isopropyl-isopentyl-1,3-dimethoxypropane

Work with 3,3-Bis(methoxymethyl)-2,6-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

2,2,5-Trimethylhexane3522-94-938 % similar 2,5-Dimethyl-2-hexanol3730-60-734 % similar 2,5-Dimethylhexane592-13-232 % similar Diisoamyl ether544-01-431 % similar

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

Same formula

1,13-Tridecanediol13362-52-2

Elsewhere

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