3,7-Dimethyl-2,6-octadienyl acetate

C₁₂H₂₀O₂CAS 16409-44-2196.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₀O₂
Molar mass: 196.29 g/mol
Exact mass: 196.1463 Da
Melting point: below 25 °C
Boiling point: 240 °C
logP: 3.24Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Identifiers

CAS number

16409-44-2

SMILES

CC(=O)OCC=C(C)CCC=C(C)C

InChIKey

HIGQPQRQIQDZMP-UHFFFAOYSA-N

InChI

InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3

Weigh it out

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

Names and synonyms

4 names

2,6-Octadien-1-ol, 3,7-dimethyl-, acetate
2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate
2,6-Dimethyl-2,6-octadien-8-yl acetate
3,7-Dimethyl-2,6-octadien-1-yl acetate

Work with 3,7-Dimethyl-2,6-octadienyl acetate

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

Same formula

Geranyl acetate105-87-3 Linalyl acetate115-95-7 Isobornyl acetate125-12-2 Neryl acetate141-12-8 (+)-Borneol acetate20347-65-3 Allyl cyclohexanepropionate2705-87-5 Ethyl decadienoate3025-30-7 (-)-Bornyl acetate5655-61-8

Elsewhere

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