4-(1-(dimethylamino)-4-((9Z,12Z)-octadeca-9,12-dienyloxy)butan-2-yloxy)-4-oxobutanoic acid

HCID 58332292

Basic information

Standard SMILES
CCCCC/C=C\C/C=C\CCCCCCCCOCCC(CN(C)C)OC(=O)CCC(=O)O
InChIKey
NDPCSDISBMXPIP-MURFETPASA-N
Molecular formula
C28H51NO5
Average molar mass
481.7 g/mol
Monoisotopic mass
481.37672373

Names & identifiers

Preferred name
4-(1-(dimethylamino)-4-((9Z,12Z)-octadeca-9,12-dienyloxy)butan-2-yloxy)-4-oxobutanoic acid
IUPAC
4-[1-(dimethylamino)-4-[(9Z,12Z)-octadeca-9,12-dienoxy]butan-2-yl]oxy-4-oxobutanoic acid

Names & synonyms

SCHEMBL1127752NDPCSDISBMXPIP-MURFETPASA-N4-(1-(dimethylamino)-4-((9Z,12Z)-octadeca-9,12-dienyloxy)butan-2-yloxy)-4-oxobutanoic acid4-(1-(dimethylamino)-4-((9Z,12Z)-octadeca-9,12-dienyloxy)butan-2-yloxy)-4-oxobutanoicacid

Database identifiers

PubChem CID
58332292

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
76.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
25
Heavy atoms
34

Related reactions

7 records

Compound notes

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