Methoxyacetic acid, 2-tetradecyl ester

Methoxyacetic acid, 2-tetradecyl ester
Compound Structure:
Synonyms: tetradecan-2-yl 2-methoxyacetate; Methoxyacetic acid, 2-tetradecyl ester; 1-Methyltridecyl methoxyacetate; methoxyacetic acid 2-tetradecyl ester
Compound ID: NMPC-1238
PubChem ID:

545729
Molecular Formula: C17H34O3
Canonical SMILES: CCCCCCCCCCCCC(C)OC(=O)COC
InChIKey: XNUNYMFXCQTEMD-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

286.4 g/mol

XLogP3-AA

6.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

15

Exact Mass

286.25079494 g/mol

Monoisotopic Mass

286.25079494 g/mol

Topological Polar Surface Area

35.5Ų

Heavy Atom Count

20

Formal Charge

0

Complexity

216

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: Urena lobata
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