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

C13H28O2CAS 129228-11-1216.36 g/mol

Open in Covalent MOL file
OO
Ether

Properties

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

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Harmonised EU classification (CLP Annex VI, index 603-145-00-3), via PubChem.

Precautionary statements

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, P501

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 3,6-Dimethyl-3-heptanol1573-28-031 % similar 2,2,2-Trifluoroethyl methyl ether460-43-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,13-Tridecanediol13362-52-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook