2-(7-Methoxycarbonyl-1-oxoheptyl)thiophene

HCID 19745238
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Basic information

Standard SMILES
COC(=O)CCCCCCC(=O)c1cccs1
InChIKey
VWAHIZWCCKMCRU-UHFFFAOYSA-N
Molecular formula
C13H18O3S
Average molar mass
254.35 g/mol

Names & identifiers

Preferred name
2-(7-Methoxycarbonyl-1-oxoheptyl)thiophene
IUPAC
methyl 8-oxo-8-thiophen-2-yloctanoate

Names & synonyms

SCHEMBL9047740VWAHIZWCCKMCRU-UHFFFAOYSA-N2-(7-methoxycarbonyl-1-oxoheptyl)thiophene

Database identifiers

PubChem CID
19745238

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
71.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

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