(Z,Z)-11,13-Hexadecadienal

HCID 6436739

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 71317-73-2
Standard SMILES: CC/C=C\C=C/CCCCCCCCCC=O
InChIKey: ZTJGMVSDMQAJPE-OUPQRBNQSA-N
Molecular formula: C16H28O
Average molar mass: 236.39 g/mol
Monoisotopic mass: 236.21401552

Overview

11Z,13Z-Hexadecadienal is a polyunsaturated fatty aldehyde.

Names & identifiers

Preferred name: (Z,Z)-11,13-Hexadecadienal
IUPAC: (11Z,13Z)-hexadeca-11,13-dienal
English name: (Z,Z)-11,13-Hexadecadienal
Molecular formula: C16H28O
Molecular weight: 236.39

Names & synonyms

(Z,Z)-11,13-Hexadecadienal71317-73-211,13-Hexadecadienal, (11Z,13Z)-11,13-Hexadecadienal, (Z,Z)-Hexadecadienal, (Z,Z)-11,13-PO1L379F0XDTXSID6035312RefChem:785934DTXCID4015312(11Z,13Z)-hexadeca-11,13-dienal11Z,13Z-Hexadecadienal(11Z,13Z)-11,13-HEXADECADIENAL

Show more names

11Z13Z-16CHOZ,Z,E-7,11,13-Hexadecatrienal7Z11Z13E-16CHOhexadeca-11,13-dienalNowtechnicalpheromone

UNII-PO1L379F0XEPA Pesticide Chemical Code 000711z,z-11,13-hexadecadienalSCHEMBL594344CHEBI:196160LMFA0600022311,13-Hexadecadienal,(11Z,13Z)-(11Z,13Z)-11,13-hexadecadien-1-al

Database identifiers

CAS: 71317-73-2
PubChem CID: 6436739
DTXSID: DTXSID6035312
ChEBI: CHEBI:196160
UNII: PO1L379F0X
Nikkaji: J763C

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 12
Heavy atoms: 17
Formal charge: 0
Complexity: 204

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]

Physicochemical properties

Boiling point: 332.7 · 332.7±11.0 °C(Predicted)
Density: 0.852 · 0.852±0.06 g/cm3 (20 ºC 760 Torr)
refractive index: 1.4768 · 1.4768 (589.3 nm 26℃)
InChI: InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-6,16H,2,7-15H2,1H3/b4-3-,6-5-
InChIKey: ZTJGMVSDMQAJPE-OUPQRBNQSA-N
SMILES: C(=O)CCCCCCCCC/C=C\C=C/CC
LogP: 6.246 · 6.246 (est)
FDA UNII: 1 L379F0X · PO1L379F0X
EPA Substance Registry System: -11 · (Z,Z)-11,13-Hexadecadienal (71317-73-2)
TSCA: TSCA listed