2-Methylene-1,3-propanediol

C4H8O2CAS 3513-81-388.11 g/mol

Open in Covalent MOL file
HOOH
AlcoholAlkene

Properties

Molecular formula
C4H8O2
Molar mass
88.11 g/mol
Exact mass
88.0524 Da
Density
1.0791 g/mL (at 20 °C)
Boiling point
125–126 °C (at 18 Torr)
logP
-0.47Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3513-81-3
SMILES
C=C(CO)CO
InChIKey
JFFYKITVXPZLQS-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O2/c1-4(2-5)3-6/h5-6H,1-3H2

Weigh it out

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

Names and synonyms

2 names
  • 1,3-Propanediol, 2-methylene-
  • 1,3-Hydroxy-2-methylenepropane

Work with 2-Methylene-1,3-propanediol

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

Methallyl alcohol513-42-842 % similar (2E)-2,3-Dibromo-2-butene-1,4-diol21285-46-141 % similar 2,3-Dibromo-2-butene-1,4-diol3234-02-441 % similar Methylenecyclohexane1192-37-633 % similar 1,1-Bis(chloromethyl)ethylene1871-57-433 % similar 3-Methylenepentane760-21-433 % similar Dihydroxyacetone96-26-433 % similar Polyglycolide26124-68-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Hydroxybutanal107-89-1 Butyric acid107-92-6 2-Butene-1,4-diol110-64-5 Propyl formate110-74-7 1,4-Dioxane123-91-1 Ethyl acetate141-78-6 1,4-Dioxane-D817647-74-4 3-Hydroxytetrahydrofuran453-20-3

Elsewhere

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