1,1,1-Trimethoxy-2-methylpropane

C₇H₁₆O₃CAS 52698-46-1148.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₆O₃
Molar mass: 148.20 g/mol
Exact mass: 148.1099 Da
Boiling point: 130–135 °C
logP: 1.24Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

52698-46-1

SMILES

COC(OC)(OC)C(C)C

InChIKey

BGLARIMANCDMQX-UHFFFAOYSA-N

InChI

InChI=1S/C7H16O3/c1-6(2)7(8-3,9-4)10-5/h6H,1-5H3

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Names and synonyms

2 names

Propane, 1,1,1-trimethoxy-2-methyl-
Trimethyl orthoisobutyrate

Work with 1,1,1-Trimethoxy-2-methylpropane

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

Tetramethoxymethane1850-14-235 % similar Triptane464-06-233 % similar 2,2-Bis(1-methylethyl)-1,3-dioxolane4421-10-732 % similar Trimethyl orthoacetate1445-45-032 % similar Methyl tert-butyl ether1634-04-432 % similar 2,2-Dimethoxypropane77-76-932 % similar 3,3,6,6-Tetramethoxycyclohexa-1,4-diene15791-03-430 % similar

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

Same formula

Diethylene glycol methyl ethyl ether1002-67-1 1,1,3-Trimethoxybutane10138-89-3 Triethyl orthoformate122-51-0 3,3-Diethoxy-1-propanol16777-87-0 Dipropylene glycol monomethyl ether34590-94-8 1,3-Diethoxy-2-propanol4043-59-8 Trimethyl orthobutyrate43083-12-1

Elsewhere

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