1,1,1-Triethoxypentane

C₁₁H₂₄O₃CAS 919-29-9204.31 g/mol

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Properties

Molecular formula: C₁₁H₂₄O₃
Molar mass: 204.31 g/mol
Exact mass: 204.1725 Da
Density: 0.873 g/mL (at 25 °C)
Boiling point: 49–50 °C (at 3 Torr)
logP: 2.94Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 9

Identifiers

CAS number

919-29-9

SMILES

CCCCC(OCC)(OCC)OCC

InChIKey

DIKAUBKIDNXNNW-UHFFFAOYSA-N

InChI

InChI=1S/C11H24O3/c1-5-9-10-11(12-6-2,13-7-3)14-8-4/h5-10H2,1-4H3

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Names and synonyms

4 names

Pentane, 1,1,1-triethoxy-
Orthovaleric acid, triethyl ester
Triethyl orthovalerate
Triethyl orthopentanoate

Work with 1,1,1-Triethoxypentane

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

Trimethyl orthovalerate13820-09-254 % similar Triethyl orthopropionate115-80-050 % similar 1,1-Diethoxycyclohexane1670-47-944 % similar 2-Chloro-1,1,1-triethoxyethane51076-95-044 % similar Diethyl dibutylmalonate596-75-842 % similar 2,2-Dimethylhexane590-73-842 % similar Butyl ethyl ether628-81-940 % similar 2-Methyl-2-hexanol625-23-038 % similar

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

Same formula

Ethylhexylglycerin70445-33-9

Elsewhere

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