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4-Methylpentyl 5-(tetradecyloxy)furan-2-carboxylate

HCID 66869812
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCCCCCCOc1ccc(C(=O)OCCCC(C)C)o1
InChIKey
CNYFPWLVZIMWCF-UHFFFAOYSA-N
Molecular formula
C25H44O4
Average molar mass
408.6 g/mol

Names & identifiers

Preferred name
4-Methylpentyl 5-(tetradecyloxy)furan-2-carboxylate
IUPAC
4-methylpentyl 5-tetradecoxyfuran-2-carboxylate

Names & synonyms

SCHEMBL992244CNYFPWLVZIMWCF-UHFFFAOYSA-N4-methylpentyl 5-(tetradecyloxy)furan-2-carboxylate

Database identifiers

PubChem CID
66869812

Properties

Computed structural properties

XLogP
10.2
Topological polar surface area
48.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
20
Heavy atoms
29
Formal charge
0
Complexity
383

Related reactions

1 records
New reaction record
HRID 57219 reaction equation
HRID 57219As productuspto-grants-2016_09

Compound notes

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