Nerolidol

C₁₅H₂₆OCAS 7212-44-4222.37 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₂₆O
Molar mass: 222.37 g/mol
Exact mass: 222.1984 Da
Density: 0.8739 g/mL (at 22 °C)
Melting point: below 25 °C
Boiling point: 122 °C
logP: 4.40Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 7

Identifiers

CAS number

7212-44-4

SMILES

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

InChIKey

FQTLCLSUCSAZDY-UHFFFAOYSA-N

InChI

InChI=1S/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

Weigh it out

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

Names and synonyms

5 names

1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-
3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol
FCI 119b
(±)-Nerolidol
Nerodilol

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

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 Geraniol106-24-150 % similar

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

Same formula

trans-Farnesol106-28-5 Bisabolol23089-26-1 trans-Nerolidol40716-66-3 Farnesol4602-84-0 Beta-eudesmol473-15-4 Guaiol489-86-1 Bisabolol515-69-5 Patchoulol5986-55-0

Elsewhere

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