SDF/Mol File of [R,(?)]-7-Methyl-1-nonyne (C10H18)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying [R,(?)]-7-Methyl-1-nonyne Molecule

• Chemical structure of [R,(?)]-7-Methyl-1-nonyne

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of [R,(?)]-7-Methyl-1-nonyne is available in chemical structure page of [R,(?)]-7-Methyl-1-nonyne, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of [R,(?)]-7-Methyl-1-nonyne

  The molecular weight of [R,(?)]-7-Methyl-1-nonyne is available in molecular weight page of [R,(?)]-7-Methyl-1-nonyne, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of [R,(?)]-7-Methyl-1-nonyne

  The chemical formula of [R,(?)]-7-Methyl-1-nonyne is given in chemical formula page of [R,(?)]-7-Methyl-1-nonyne, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of [R,(?)]-7-Methyl-1-nonyne

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of [R,(?)]-7-Methyl-1-nonyne is:

  InChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h1,10H,5-9H2,2-3H3/t10-/m1/s1

  It can provide a standard way to encode the molecular information of [R,(?)]-7-Methyl-1-nonyne 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 [R,(?)]-7-Methyl-1-nonyne is:

  InChIKey=ILTCNNWNFZMWTJ-SNVBAGLBSA-N

  The InChIKey may allow easier web searches for [R,(?)]-7-Methyl-1-nonyne, but it needs to be linked to the full InChI to get back to the original structure of the [R,(?)]-7-Methyl-1-nonyne since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of [R,(?)]-7-Methyl-1-nonyne

  The [R,(?)]-7-Methyl-1-nonyne compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of [R,(?)]-7-Methyl-1-nonyne including the registry numbers are listed below, if available:

  • [R,(?)]-7-Methyl-1-nonyne

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[R,(?)]-7-Methyl-1-nonyne Identification Summary Frequently Asked Questions (FAQs)

What’s the [R,(?)]-7-Methyl-1-nonyne formula?
C10H18
How many atoms and what elements are included in the [R,(?)]-7-Methyl-1-nonyne molecule?
28 atom(s) - 18 Hydrogen atom(s) and 10 Carbon atom(s)
How many chemical bonds and what kind of bonds are in the [R,(?)]-7-Methyl-1-nonyne structure?
27 bond(s) - 9 non-H bond(s), 1 multiple bond(s), 5 rotatable bond(s), and 1 triple bond(s)
What’s the [R,(?)]-7-Methyl-1-nonyne’s molar mass?
138.24992 g/mol
What’s the SMILES structure of [R,(?)]-7-Methyl-1-nonyne?
CCC(C)CCCCC#C
What’s the InChI code of [R,(?)]-7-Methyl-1-nonyne?
InChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h1,10H,5-9H2,2-3H3/t10-/m1/s1
What’s the InChIKey format of [R,(?)]-7-Methyl-1-nonyne?
ILTCNNWNFZMWTJ-SNVBAGLBSA-N

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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).