1,1-Bis(1-methylethoxy)cyclohexane

C₁₂H₂₄O₂CAS 1132-95-2200.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₄O₂
Molar mass: 200.32 g/mol
Exact mass: 200.1776 Da
Density: 0.9047 g/mL (at 24 °C)
Boiling point: 85 °C (at 8 Torr)
logP: 3.50Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damageSkin corrosion/irritation

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

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

Identifiers

CAS number

1132-95-2

SMILES

CC(C)OC1(OC(C)C)CCCCC1

InChIKey

PLNTYOACSMHWBN-UHFFFAOYSA-N

InChI

InChI=1S/C12H24O2/c1-10(2)13-12(14-11(3)4)8-6-5-7-9-12/h10-11H,5-9H2,1-4H3

Weigh it out

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

Names and synonyms

5 names

Cyclohexane, 1,1-bis(1-methylethoxy)-
Cyclohexanone, diisopropyl acetal
1,1-Diisopropoxycyclohexane
Cyclohexanone diisopropyl ketal
1,1-Di(propan-2-yloxy)cyclohexane

Work with 1,1-Bis(1-methylethoxy)cyclohexane

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-Dimethoxycyclohexane933-40-443 % similar 1,1-Diethoxycyclohexane1670-47-940 % similar 1,1-Bis(tert-butylperoxy)cyclohexane3006-86-838 % similar (R)-1,4-Dioxaspiro[4,5]decane-2-carboxaldehyde78008-36-334 % similar Olean180-84-733 % similar 1,1-Bis[(prop-2-en-1-yl)oxy]cyclohexane53608-84-731 % similar 1,2-O-Cyclohexylidene-alpha-D-glucofuranose16832-21-631 % similar 1,1-Dimethylcyclohexane590-66-930 % similar

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

Same formula

Ethyl decanoate110-38-3 Octyl butyrate110-39-4 Decyl acetate112-17-4 Lauric acid143-07-7 Methyl undecanoate1731-86-8 Butyl octanoate589-75-3 Hexyl hexanoate6378-65-0

Elsewhere

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