Methyl 4-[3-oxo-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propynyl]benzoate

HCID 9799722
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Basic information

Standard SMILES
COC(=O)c1ccc(C#CC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIKey
IPWRPYRIXANOCQ-UHFFFAOYSA-N
Molecular formula
C25H26O3
Average molar mass
374.5 g/mol

Names & identifiers

Preferred name
Methyl 4-[3-oxo-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propynyl]benzoate
IUPAC
methyl 4-[3-oxo-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-ynyl]benzoate

Names & synonyms

SCHEMBL7709220IPWRPYRIXANOCQ-UHFFFAOYSA-Nmethyl 4-[3-oxo-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propynyl]benzoate

Database identifiers

PubChem CID
9799722

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
28

Related reactions

1 records
New reaction record

Compound notes

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Methyl 4-[3-oxo-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propynyl]benzoate (HCID 9799722)｜Huagongshe