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Molecular Weight of Trans-.alpha.-Necrodyl acetate (C12H20O2)

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2D chemical structure image of trans-.alpha.-Necrodyl acetate
Chemical Formula C12H20O2
Molecular Weight 196.286 g/mol
IUPAC Name [(1S,4S)-3,4,5,5-tetramethylcyclopent-2-en-1-yl]methyl acetate
SMILES String CC1C(=CC(COC(C)=O)C1(C)C)C
InChI InChI=1S/C12H20O2/c1-8-6-11(7-14-10(3)13)12(4,5)9(8)2/h6,9,11H,7H2,1-5H3/t9-,11+/m0/s1
InChIKey LZTCNNXHQNNINB-GXSJLCMTSA-N
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Molecular Weight Description

The trans-.alpha.-Necrodyl acetate molecule consists of 20 Hydrogen atom(s), 12 Carbon atom(s), and 2 Oxygen atom(s) - a total of 34 atom(s). The molecular weight of trans-.alpha.-Necrodyl acetate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:

$$ 196.286 · \frac{g}{mol} $$

The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.

Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.

3D chemical structure image of trans-.alpha.-Necrodyl acetate
Ball-and-stick model of trans-.alpha.-Necrodyl acetate

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Additional Information for Identifying Trans-.alpha.-Necrodyl acetate Molecule


  • InChI (IUPAC International Chemical Identifier) information of trans-.alpha.-Necrodyl acetate

    In addition to the molecular weight information, the structural information of trans-.alpha.-Necrodyl acetate in a textual expression is available via InChi. The full standard InChI of trans-.alpha.-Necrodyl acetate is given below:

    InChI=1S/C12H20O2/c1-8-6-11(7-14-10(3)13)12(4,5)9(8)2/h6,9,11H,7H2,1-5H3/t9-,11+/m0/s1

    It can provide a way to encode the molecular information of trans-.alpha.-Necrodyl acetate to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of trans-.alpha.-Necrodyl acetate is:

    InChIKey=LZTCNNXHQNNINB-GXSJLCMTSA-N

    It may allow easier web searches for trans-.alpha.-Necrodyl acetate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the trans-.alpha.-Necrodyl acetate as the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of trans-.alpha.-Necrodyl acetate

    There may be different names of the trans-.alpha.-Necrodyl acetate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:

    • trans-.alpha.-Necrodyl acetate

Trans-.alpha.-Necrodyl acetate Identification Summary Frequently Asked Questions (FAQs)

What’s the formula of trans-.alpha.-Necrodyl acetate?
C12H20O2
How many atoms and what are the elements in the trans-.alpha.-Necrodyl acetate molecule?
34 atom(s) - 20 Hydrogen atom(s), 12 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what types of bonds are in the trans-.alpha.-Necrodyl acetate structure?
34 bond(s) - 14 non-H bond(s), 2 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), and 1 ester(s) (aliphatic)
What’s the molar mass of trans-.alpha.-Necrodyl acetate?
196.286 g/mol
What’s the SMILES format of trans-.alpha.-Necrodyl acetate?
CC1C(=CC(COC(C)=O)C1(C)C)C
What’s the InChI format of trans-.alpha.-Necrodyl acetate?
InChI=1S/C12H20O2/c1-8-6-11(7-14-10(3)13)12(4,5)9(8)2/h6,9,11H,7H2,1-5H3/t9-,11+/m0/s1
What’s the InChIKey string of trans-.alpha.-Necrodyl acetate?
LZTCNNXHQNNINB-GXSJLCMTSA-N