Octadeca-9,12-dienoyl chloride

HCID 98987

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCCC=CCC=CCCCCCCCC(=O)Cl
InChIKey: FBWMYSQUTZRHAT-UHFFFAOYSA-N
Molecular formula: C18H31ClO
Average molar mass: 298.9 g/mol
Monoisotopic mass: 298.20634329

Names & identifiers

Preferred name: Octadeca-9,12-dienoyl chloride
IUPAC: octadeca-9,12-dienoyl chloride

Names & synonyms

octadeca-9,12-dienoyl chlorideDTXSID40864067RefChem:1093749DTXCID90812619C18H31ClO9,12-Octadecadienoyl chlorideLINOLEOYLCHLORIDEoctadec-9,12-dienoyl chlorideSCHEMBL3285721FBWMYSQUTZRHAT-UHFFFAOYSA-NAKOS028109103

Database identifiers

PubChem CID: 98987
DTXSID: DTXSID40864067

Properties

Computed structural properties

XLogP: 7.6
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 14
Heavy atoms: 20
Formal charge: 0
Complexity: 269

Related reactions

7 records

New reaction record

HRID 5136As reactantuspto-grants-1993_09

HRID 115089As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 126312As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 195001As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 682952As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1111183As reactantuspto-grants-1990_12

HRID 2162190As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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