chempirical

1,1-Dimethoxycyclohexane

C8H16O2CAS 933-40-4144.21 g/mol

Open in Covalent MOL file
OO
AcetalEther

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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
933-40-4
SMILES
COC1(CCCCC1)OC
InChIKey
XPIJMQVLTXAGME-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2/c1-9-8(10-2)6-4-3-5-7-8/h3-7H2,1-2H3

Weigh it out

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Work with 1,1-Dimethoxycyclohexane

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

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. All similar compounds

Same formula

2-Ethylbutyl acetate10031-87-5 Cyclohexanedimethanol105-08-8 Isoamyl propionate105-68-0 1,1-Diethoxy-2-butene10602-34-3 Methyl heptanoate106-73-0 4-Methyl-2-pentyl acetate108-84-9 Butyl butyrate109-21-7 2-Methylheptanoic acid1188-02-9

Elsewhere

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