4-Methyl-2-pentyl-1,3-dioxolane

C9H18O2CAS 1599-49-1158.24 g/mol

Open in Covalent MOL file
OO
AcetalEther

Properties

Molecular formula
C9H18O2
Molar mass
158.24 g/mol
Exact mass
158.1307 Da
Density
0.893–0.901 g/mL
logP
2.33Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Not classified as hazardous under GHS by 1,402 ECHA notifiers. Aggregated from 1,402 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
1599-49-1
SMILES
CCCCCC1OCC(C)O1
InChIKey
GWMSIWCZZKMUQM-UHFFFAOYSA-N
InChI
InChI=1S/C9H18O2/c1-3-4-5-6-9-10-7-8(2)11-9/h8-9H,3-7H2,1-2H3

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

Names and synonyms

2 names
  • 1,3-Dioxolane, 4-methyl-2-pentyl-
  • 2-Pentyl-4-methyl-1,3-dioxolane

Work with 4-Methyl-2-pentyl-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

1,1-Diethoxyhexane3658-93-352 % similar 1,1-Dimethoxyoctane10022-28-347 % similar 1,1-Dimethoxydecane7779-41-147 % similar 1,2-Epoxydecane2404-44-643 % similar 1,2-Epoxydodecane2855-19-843 % similar 2-Hexyloxirane2984-50-143 % similar 1,2-Epoxytetradecane3234-28-443 % similar 1,2-Epoxyhexadecane7320-37-843 % 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 tert-Butyl trimethylacetate16474-43-4

Elsewhere

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