Icosa-5,8,11,14-tetraen-1-ol

HCID 4282256

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCCC=CCC=CCC=CCC=CCCCCO
InChIKey: NYBCZSBDKXGAGM-UHFFFAOYSA-N
Molecular formula: C20H34O
Average molar mass: 290.5 g/mol
Monoisotopic mass: 290.2609657

Names & identifiers

Preferred name: Icosa-5,8,11,14-tetraen-1-ol
IUPAC: icosa-5,8,11,14-tetraen-1-ol

Names & synonyms

SCHEMBL458747SCHEMBL1738831

Database identifiers

PubChem CID: 4282256

Properties

Computed structural properties

XLogP: 6.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 14
Heavy atoms: 21
Formal charge: 0
Complexity: 297

Related reactions

4 records

New reaction record

HRID 113561 reaction equation

HRID 113561As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 196720 reaction equation

HRID 196720As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 205304 reaction equation

HRID 205304As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 952022 reaction equation

HRID 952022As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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