2,2-Bis(1-methylethyl)-1,3-dioxolane

C9H18O2CAS 4421-10-7158.24 g/mol

Open in Covalent MOL file
OO
AcetalEther

Properties

Molecular formula
C9H18O2
Molar mass
158.24 g/mol
Exact mass
158.1307 Da
logP
2.04Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, P501

Identifiers

CAS number
4421-10-7
SMILES
CC(C)C1(C(C)C)OCCO1
InChIKey
BIYJJEWTEPSHGZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H18O2/c1-7(2)9(8(3)4)10-5-6-11-9/h7-8H,5-6H2,1-4H3

Weigh it out

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

Names and synonyms

7 names
  • 1,3-Dioxolane, 2,2-bis(1-methylethyl)-
  • 1,3-Dioxolane, 2,2-diisopropyl-
  • Diisopropyl ketone ethylene ketal
  • 2,2-Diisopropyl-1,3-dioxolane
  • NSC 158333
  • 2,2-Di(propan-2-yl)-1,3-dioxolane
  • 2,2-Bis(propan-2-yl)-1,3-dioxolane

Work with 2,2-Bis(1-methylethyl)-1,3-dioxolane

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

2,2-Dimethyl-1,3-dioxolane2916-31-635 % similar 1,1,1-Trimethoxy-2-methylpropane52698-46-132 % similar Triptane464-06-232 % similar 1,4-Cyclohexanedione bis(ethylene ketal)183-97-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isoamyl butyrate106-27-4 Ethyl heptanoate106-30-9 Butyl isovalerate109-19-3 Methyl octanoate111-11-5 Pelargonic acid112-05-0 Heptyl acetate112-06-1 Butyl 2-methyl butyrate15706-73-7 4-Methyl-2-pentyl-1,3-dioxolane1599-49-1

Elsewhere

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