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2,5-Dihydro-2,5-dimethoxy-2-(8,8,8-trimethoxy-3-octynyl)furan

HCID 22166145
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COC1C=CC(CCC#CCCCC(OC)(OC)OC)(OC)O1
InChIKey
KDQWNQOGBXVQAZ-UHFFFAOYSA-N
Molecular formula
C17H28O6
Average molar mass
328.4 g/mol

Names & identifiers

Preferred name
2,5-Dihydro-2,5-dimethoxy-2-(8,8,8-trimethoxy-3-octynyl)furan
IUPAC
2,5-dimethoxy-5-(8,8,8-trimethoxyoct-3-ynyl)-2H-furan

Names & synonyms

SCHEMBL10405441KDQWNQOGBXVQAZ-UHFFFAOYSA-N2,5-dihydro-2,5-di- methoxy-2-(8,8,8-trimethoxy-3-octynyl)furan2,5-Dihydro-2,5-dimethoxy-2-(8,8,8-trimethoxy-3-octynyl)furan

Database identifiers

PubChem CID
22166145

Properties

Computed structural propertiesFilling in

XLogP
1.8
Topological polar surface area
55.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
23
Formal charge
0
Complexity
423

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Related reactions

3 records
New reaction record
HRID 1032504 reaction equation
HRID 1032504As productuspto-grants-1990_09
HRID 1032505 reaction equation
HRID 1032505As reactantuspto-grants-1990_09
HRID 2335854 reaction equation
HRID 2335854As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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