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Diethyl 1-hydroxy-1-(5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphth-2-yl)-methylphosphonate

HCID 19786986
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOP(=O)(OCC)C(O)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIKey
CAUKMPFSJJHMOF-UHFFFAOYSA-N
Molecular formula
C19H31O4P
Average molar mass
354.4 g/mol

Names & identifiers

Preferred name
Diethyl 1-hydroxy-1-(5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphth-2-yl)-methylphosphonate
IUPAC
diethoxyphosphoryl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanol

Names & synonyms

SCHEMBL9484572CAUKMPFSJJHMOF-UHFFFAOYSA-Ndiethyl 1-hydroxy-1-(5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphth-2-yl)-methylphosphonate

Database identifiers

PubChem CID
19786986

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
24
Formal charge
0
Complexity
464

Related reactions

5 records
New reaction record
HRID 692629 reaction equation
HRID 692629As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 893734 reaction equation
HRID 893734As reactantuspto-grants-1992_06
HRID 982042 reaction equation
HRID 982042As reactantuspto-grants-1991_02
HRID 1382421 reaction equation
HRID 1382421As reactantuspto-grants-1989_02
HRID 1657131 reaction equation
HRID 1657131As reactantuspto-grants-1993_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes