Undecanoic acid, 2,8-dimethyl-; methyl ester

Undecanoic acid, 2,8-dimethyl-; methyl ester
Compound Structure:
Synonyms: 55955-74-3 ;Methyl 2,8-dimethylundecanoate; Undecanoic acid, 2,8-dimethyl-, methyl ester; 2,8-Dimethylundecanoic acid methyl ester ;DTXSID30339971
Compound ID: NMPC-1582
PubChem ID:

560441
Molecular Formula: C14H28O2
Canonical SMILES: CCCC(C)CCCCCC(C)C(=O)OC
InChIKey: WNNNNJOPCSUOIZ-UHFFFAOYSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

228.37 g/mol

XLogP3-AA

5.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

10

Exact Mass

228.208930132 g/mol

Monoisotopic Mass

228.208930132 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

178

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem
Source Species: Tragia benthamii
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