Diethyl (1-naphthyl)methylmalonate

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Basic information

Standard SMILES: CCOC(=O)C(Cc1cccc2ccccc12)C(=O)OCC
InChIKey: COZHUIZNMBNAKP-UHFFFAOYSA-N
Molecular formula: C18H20O4
Average molar mass: 300.3 g/mol

Names & identifiers

Preferred name: Diethyl (1-naphthyl)methylmalonate
IUPAC: diethyl 2-(naphthalen-1-ylmethyl)propanedioate

Names & synonyms

SCHEMBL6719502COZHUIZNMBNAKP-UHFFFAOYSA-Ndiethyl (1-naphthyl)methylmalonateMFCD32639677SY567283Diethyl 2-(Naphthalen-1-ylmethyl)malonatealpha-naphthylmethylmalonic acid diethyl ester2-(1-naphthylmethyl)malonic acid diethyl ester(1-Naphthalenylmethyl)propanedioic acid diethyl ester

Database identifiers

PubChem CID: 9972002

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 361

Related reactions

13 records

New reaction record

HRID 4589As reactantuspto-grants-1988_02

HRID 102058As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 109201As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 158573As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 345012As productuspto-grants-1991_10

HRID 1129932As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1148208As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1607383As reactantuspto-grants-1989_09

Compound notes

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