2-(Isopentyloxy)-1-naphthaldehyde

HCID 22048604

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)CCOc1ccc2ccccc2c1C=O
InChIKey: PGMDHKOCPXCMBL-UHFFFAOYSA-N
Molecular formula: C16H18O2
Average molar mass: 242.31 g/mol
Monoisotopic mass: 242.13067981

Names & identifiers

Preferred name: 2-(Isopentyloxy)-1-naphthaldehyde
IUPAC: 2-(3-methylbutoxy)naphthalene-1-carbaldehyde

Names & synonyms

SCHEMBL5661442PGMDHKOCPXCMBL-UHFFFAOYSA-NAKOS0052914262-(ISOPENTYLOXY)-1-NAPHTHALDEHYDE

Database identifiers

PubChem CID: 22048604

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 262

Related reactions

20 records

New reaction record

HRID 119538As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 317136As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 678982As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1832334As productuspto-grants-2006_06

HRID 1832335As reactantuspto-grants-2006_06

HRID 1832336As reactantuspto-grants-2006_06

HRID 1832338As reactantuspto-grants-2006_06

HRID 1832340As reactantuspto-grants-2006_06

Compound notes

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