Methoxyacetic acid, 3-pentadecyl estera

Methoxyacetic acid, 3-pentadecyl estera
Compound Structure:
Synonyms: pentadecan-3-yl 2-methoxyacetate; Methoxyacetic acid, 3-pentadecyl ester; 1-Ethyltridecyl methoxyacetate
Compound ID: NMPC-1239
PubChem ID:

542295
Molecular Formula: C18H36O3
Canonical SMILES: CCCCCCCCCCCCC(CC)OC(=O)COC
InChIKey: DDETYCVKBSMYSL-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

300.5 g/mol

XLogP3-AA

7.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

16

Exact Mass

300.26644501 g/mol

Monoisotopic Mass

300.26644501 g/mol

Topological Polar Surface Area

35.5Ų

Heavy Atom Count

21

Formal Charge

0

Complexity

229

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem            
Source Species: Anacardium occidentale
Annona senegalensis
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