Structure & Deep Data of METHYL DECANOATE (C11H22O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The METHYL DECANOATE molecule contains a total of 34 bond(s). There are 12 non-H bond(s), 1 multiple bond(s), 9 rotatable bond(s), 1 double bond(s), and 1 ester(s) (aliphatic). Images of the chemical structure of METHYL DECANOATE are given below:

The 2D chemical structure image of METHYL DECANOATE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of METHYL DECANOATE are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of METHYL DECANOATE is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of METHYL DECANOATE. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying METHYL DECANOATE Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of METHYL DECANOATE

  The SMILES string of METHYL DECANOATE is CCCCCCCCCC(=O)OC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the METHYL DECANOATE.

• Structure Data File (SDF/MOL File) of METHYL DECANOATE

  The structure data file (SDF/MOL File) of METHYL DECANOATE is available for download in the SDF page of METHYL DECANOATE, which provides the information about the atoms, bonds, connectivity and coordinates of METHYL DECANOATE. The METHYL DECANOATE structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of METHYL DECANOATE

  The molecular formula of METHYL DECANOATE is available in chemical formula page of METHYL DECANOATE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of METHYL DECANOATE

  The molecular weight of METHYL DECANOATE is available in molecular weight page of METHYL DECANOATE, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of METHYL DECANOATE

  The METHYL DECANOATE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of METHYL DECANOATE including the various registry numbers, if available:

  • Methyl caprate, United States Pharmacopeia (USP) Reference Standard
  • BB30D0E8-DD7E-4A77-9781-4C29389B3F24
  • J-002422
  • I14-2600
  • C-07544
  • A802189
  • S0308
  • D0023
  • Decanoic acid, methyl ester (FAME MIX)
  • RTR-002150

  • MFCD00009580
  • Methyl decanoate, analytical standard
  • LMFA07010454
  • ANW-16150
  • 1952AA
  • Methyl decanoate, >=99%, FG
  • DECANOIC ACID,METHYL ESTER
  • U9L2W51J0B
  • n-Capric acid methyl ester
  • Methyl decanoate, 99%

  • METHYLDECANOATE
  • Decanoic acid methyl
  • CAS-110-42-9
  • WE(1:0/10:0)
  • Methyl decanoate (natural)
  • formyl decanoate
  • Methyl n-caprate
  • Methyl n-decanoate
  • Metholene 2095
  • Uniphat A30

  • Decanoic acid methyl ester
  • Methyl-n-caprate
  • Capric acid methyl ester
  • Methyl caprinate
  • Decanoic acid, methyl ester
  • 110-42-9
  • Methyl caprate

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METHYL DECANOATE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of METHYL DECANOATE?
C11H22O2
How many atoms and what are the elements included the METHYL DECANOATE molecule?
35 atom(s) - 22 Hydrogen atom(s), 11 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the METHYL DECANOATE structure?
34 bond(s) - 12 non-H bond(s), 1 multiple bond(s), 9 rotatable bond(s), 1 double bond(s), and 1 ester(s) (aliphatic)
What’s the METHYL DECANOATE’s molecular weight?
186.29118 g/mol
What’s the SMILES code of METHYL DECANOATE?
CCCCCCCCCC(=O)OC
What’s the InChI string of METHYL DECANOATE?
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
What’s the InChIKey code of METHYL DECANOATE?
YRHYCMZPEVDGFQ-UHFFFAOYSA-N

1372 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).