1,1-Dimethoxycyclohexane
Properties
- Molecular formula
- C8H16O2
- Molar mass
- 144.21 g/mol
- Exact mass
- 144.1150 Da
- logP
- 1.94Crippen estimate
- Polar surface area
- 18.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
Aggregated from 41 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
933-40-4SMILES
COC1(CCCCC1)OCInChIKey
XPIJMQVLTXAGME-UHFFFAOYSA-NInChI
InChI=1S/C8H16O2/c1-9-8(10-2)6-4-3-5-7-8/h3-7H2,1-2H3Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 3.30 (s, 6H), 2.09 (t, J = 7.0 Hz, 4H), 1.43 (m, J = 7.0 Hz, 4H), 1.43 (m, J = 7.0 Hz, 2H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 111.1, 51.7, 36.9, 26.9, 22.9.[M + H]+
[M + H]+ Calcd for C8H17O2 145.1223[M + Na]+
[M + Na]+ Calcd for C8H16NaO2 167.1043[M − H]−
[M − H]− Calcd for C8H15O2 143.1078Elemental analysis
Anal. Calcd for C8H16O2: C, 66.63; H, 11.18.Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 1,1-Dimethoxycyclohexane
Similar compounds
1,1-Diethoxycyclohexane1670-47-945 % similar
1,1-Bis(1-methylethoxy)cyclohexane1132-95-243 % similar
1,1-Bis(tert-butylperoxy)cyclohexane3006-86-843 % similar
1,3-Dibromo-2,2-dimethoxypropane22094-18-443 % similar
Olean180-84-738 % similar
Trimethyl orthovalerate13820-09-238 % similar
1,1-Dimethylcyclohexane590-66-935 % similar
Trimethyl orthobutyrate43083-12-135 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.