chempirical

3-Methyl-1-penten-3-ol

C6H12OCAS 918-85-4100.16 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C6H12O
Molar mass
100.16 g/mol
Exact mass
100.0888 Da
Density
0.8378 g/mL (at 20 °C)
Boiling point
115–140 °C
logP
1.33Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
918-85-4
SMILES
C=CC(C)(O)CC
InChIKey
HFYAEUXHCMTPOL-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O/c1-4-6(3,7)5-2/h4,7H,1,5H2,2-3H3

Weigh it out

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

Names and synonyms

7 names
  • 1-Penten-3-ol, 3-methyl-
  • 3-Hydroxy-3-methyl-1-pentene
  • Methylethylvinylcarbinol
  • 3-Methyl-1-pentene-3-ol
  • 1-Ethyl-1-methylallyl alcohol
  • (±)-3-Methylpent-1-en-3-ol
  • NSC 128156

Work with 3-Methyl-1-penten-3-ol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(-)-Linalool126-91-047 % similar 3,7-Dimethyl-1,6-octadien-3-ol78-70-647 % similar Ethyl linalool10339-55-646 % similar Isophytol505-32-841 % similar 2-Methyl-3-buten-2-ol115-18-440 % similar Geranyllinalool1113-21-938 % similar trans-Nerolidol40716-66-338 % similar Nerolidol7212-44-438 % similar

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

Same formula

Methyl isobutyl ketone108-10-1 Cyclohexanol108-93-0 Isobutyl vinyl ether109-53-5 Butyl vinyl ether111-34-2 (±)-2-Methylpentanal123-15-9 2-Butyloxirane1436-34-6 1-Methylcyclopentanol1462-03-9 3-Propoxy-1-propene1471-03-0

Elsewhere

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