2-Carbomethoxy-2-(t-butyl)thiomethyl-1,2,3,4-tetrahydronaphthalene

HCID 19789949
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Basic information

Standard SMILES
COC(=O)C1(CSC(C)(C)C)CCc2ccccc2C1
InChIKey
HFZHSERESVEGAZ-UHFFFAOYSA-N
Molecular formula
C17H24O2S
Average molar mass
292.4 g/mol

Names & identifiers

Preferred name
2-Carbomethoxy-2-(t-butyl)thiomethyl-1,2,3,4-tetrahydronaphthalene
IUPAC
methyl 2-(tert-butylsulfanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylate

Names & synonyms

SCHEMBL7294410HFZHSERESVEGAZ-UHFFFAOYSA-N2-Carbomethoxy-2-(t-butyl)thiomethyl-1,2,3,4-tetrahydronaphthalene

Database identifiers

PubChem CID
19789949

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
51.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
20

Related reactions

4 records
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Compound notes

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