chempirical

trans-Nerolidol

C15H26OCAS 40716-66-3222.37 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C15H26O
Molar mass
222.37 g/mol
Exact mass
222.1984 Da
Boiling point
113 °C (at 0.4 Torr)
logP
4.40Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
40716-66-3
SMILES
C=CC(C)(O)CC/C=C(C)CCC=C(C)C
InChIKey
FQTLCLSUCSAZDY-SDNWHVSQNA-N
InChI
InChI=1/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+

Weigh it out

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

Names and synonyms

11 names
  • 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (6E)-
  • 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (E)-
  • (6E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol
  • (±)-trans-Nerolidol
  • (6E)-Nerolidol
  • 1-Geranyl-2-methyl-3-buten-2-ol
  • (E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol
  • (E)-Nerolidol
  • (6E)-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol
  • Nerolidol B
  • (E)-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol

Work with trans-Nerolidol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Nerolidol7212-44-4

Similar compounds

Geranyllinalool1113-21-9100 % similar (-)-Linalool126-91-079 % similar 3,7-Dimethyl-1,6-octadien-3-ol78-70-679 % similar Ethyl linalool10339-55-667 % similar Solanesol13190-97-153 % similar Geranylgeraniol24034-73-953 % similar Squalene111-02-451 % similar Squalene7683-64-951 % similar

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

Same formula

Farnesol106-28-5 Bisabolol23089-26-1 Farnesol4602-84-0 Beta-Eudesmol473-15-4 Guaiol489-86-1 Bisabolol515-69-5 Patchoulol5986-55-0

Elsewhere

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