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Structure

(9Z,12E)-Tetradecadien-1-Yl Acetate

CAS
31654-77-0
Catalog Number
ACM31654770
Category
Insect Pheromone
Molecular Weight
252.39
Molecular Formula
C16H28O2

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Specification

Synonyms
cis-9,trans-12-Tetradecadienyl Acetate; (Z,E)- Acetate 9,12-Tetradecadien-1-ol;
IUPAC Name
(9Z,12E)-9,12-TETRADECADIEN-1-YL ACETATE
Canonical SMILES
C/C=C/C/C=C\\\\CCCCCCCCOC(=O)C
Boiling Point
334.8ºC at 760mmHg
Flash Point
102.3ºC
Density
0.890 g/mL (Predicted)
Appearance
solid
Application
(9Z,12E)-Tetradecadien-1-yl Acetate is a sex pheromone component of Noctuidae in Antilles.
Exact Mass
252.20900
Hazard Statements
Xi: Irritant;
Safety Description
26-36/37/39
What is the molecular formula of (9Z,12E)-Tetradecadien-1-yl acetate?

The molecular formula is C16H28O2.

What is the molecular weight of (9Z,12E)-Tetradecadien-1-yl acetate?

The molecular weight is 252.39 g/mol.

What is the IUPAC name of (9Z,12E)-Tetradecadien-1-yl acetate?

The IUPAC name is [(9E,12Z)-tetradeca-9,12-dienyl] acetate.

What is the InChI of (9Z,12E)-Tetradecadien-1-yl acetate?

The InChI is InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4,6-7H,5,8-15H2,1-2H3/b4-3-,7-6+.

What is the InChIKey of (9Z,12E)-Tetradecadien-1-yl acetate?

The InChIKey is ZZGJZGSVLNSDPG-WWVFNRLHSA-N.

What is the canonical SMILES of (9Z,12E)-Tetradecadien-1-yl acetate?

The canonical SMILES is CC=CCC=CCCCCCCCCOC(=O)C.

What is the isomeric SMILES of (9Z,12E)-Tetradecadien-1-yl acetate?

The isomeric SMILES is C/C=C\C/C=C/CCCCCCCCOC(=O)C.

What is the CAS number of (9Z,12E)-Tetradecadien-1-yl acetate?

The CAS number is 31654-77-0.

What is the XLogP3-AA value of (9Z,12E)-Tetradecadien-1-yl acetate?

The XLogP3-AA value is 5.3.

What is the hydrogen bond donor count of (9Z,12E)-Tetradecadien-1-yl acetate?

The hydrogen bond donor count is 0.

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