3,3,6,6-Tetramethoxycyclohexa-1,4-diene

C₁₀H₁₆O₄CAS 15791-03-4200.23 g/mol

Open in Covalent MOL file

Acetal Alkene Ether

Properties

Molecular formula: C₁₀H₁₆O₄
Molar mass: 200.23 g/mol
Exact mass: 200.1049 Da
logP: 1.09Crippen estimate
Polar surface area: 36.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage100% of notifiers

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

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

15791-03-4

SMILES

COC1(C=CC(C=C1)(OC)OC)OC

InChIKey

LJAWVXAZDYVFNU-UHFFFAOYSA-N

InChI

InChI=1S/C10H16O4/c1-11-9(12-2)5-7-10(13-3,14-4)8-6-9/h5-8H,1-4H3

Weigh it out

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

Names and synonyms

3 names

3,3,6,6-Tetramethoxy-1,4-cyclohexadiene
1,4-Cyclohexadiene, 3,3,6,6-tetramethoxy-
3,3,6,6-Tetramethoxy-cyclohexa-1,4-diene

Reactions

3,3,6,6-TETRAMETHOXY-1,4-CYCLOHEXADIENE (1,4-Cyclohexadiene, 3,3,6,6-tetramethoxy-)product

Work with 3,3,6,6-Tetramethoxycyclohexa-1,4-diene

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

Tetramethoxymethane1850-14-240 % similar Trimethyl orthoacetate1445-45-035 % similar Methyl tert-butyl ether1634-04-435 % similar 2,2-Dimethoxypropane77-76-935 % similar 7,7-Dimethoxybicyclo[2.2.1]hept-2-ene875-04-730 % similar 1,1,1-Trimethoxypropane24823-81-230 % similar 1,1,1-Trimethoxy-2-methylpropane52698-46-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(2-Oxiranylmethoxy)butyl 2-propenoate119692-59-0 d-Camphoric acid124-83-4 1,4-Cyclohexanedione bis(ethylene ketal)183-97-1 Diethyl allylmalonate2049-80-1 1,4-Dipropyl (2Z)-2-butenedioate2432-63-5 Ethyl 4-acetyl-5-oxohexanoate2832-10-2 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-2 Diethyl 1,1-cyclobutanedicarboxylate3779-29-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook