SDF/Mol File of Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane (C13H22N2O2)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane Molecule

• Chemical structure of Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane is available in chemical structure page of Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane

  The molecular weight of Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane is available in molecular weight page of Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane, 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 Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane

  The chemical formula of Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane is given in chemical formula page of Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane, 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 Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane is:

  InChI=1S/C13H22N2O2/c1-8(2)10-6-16-12(14-10)5-13-15-11(7-17-13)9(3)4/h8-11H,5-7H2,1-4H3/t10-,11-/m1/s1

  It can provide a standard way to encode the molecular information of Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane 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 Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane is:

  InChIKey=KEHOIBBPRFRZFW-GHMZBOCLSA-N

  The InChIKey may allow easier web searches for Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane, but it needs to be linked to the full InChI to get back to the original structure of the Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane

  The Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane including the registry numbers are listed below, if available:

  • (4S,4'S)-2,2'-Methylenebis[4-(propan-2-yl)-4,5-dihydro-1,3-oxazole]
  • I14-8987
  • 2,2'-Methylenebis(4beta-isopropyl-2-oxazoline)
  • K-4130
  • bis[(4s)-(l-methyiethyl)oxazolin-2-yl]methane
  • MFCD11558948
  • ANW-65127
  • 5900AA
  • Oxazole,2,2'-methylenebis[4,5-dihydro-4-(1-methylethyl)-, (4S,4'S)-
  • C13H22N2O2

  • BIS[(4S)-(1-METHYLETHYL)OXAZOLIN-2-YL]METHANE
  • Bis[(S)-4-isopropyl-4,5-dihydrooxazol-2-yl]methane
  • Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane
  • Bis[ - oxazolin-2-yl]methane
  • 131833-90-4

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Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane Identification Summary Frequently Asked Questions (FAQs)

What’s the Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane formula?
C13H22N2O2
How many atoms and what elements are included in the Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane molecule?
39 atom(s) - 22 Hydrogen atom(s), 13 Carbon atom(s), 2 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane structure?
40 bond(s) - 18 non-H bond(s), 2 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 2 five-membered ring(s), and 2 ether(s) (aliphatic)
What’s the Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane’s molar mass?
238.32598 g/mol
What’s the SMILES structure of Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane?
CC(C)C1COC(=N1)CC2=NC(CO2)C(C)C
What’s the InChI code of Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane?
InChI=1S/C13H22N2O2/c1-8(2)10-6-16-12(14-10)5-13-15-11(7-17-13)9(3)4/h8-11H,5-7H2,1-4H3/t10-,11-/m1/s1
What’s the InChIKey format of Bis((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)methane?
KEHOIBBPRFRZFW-GHMZBOCLSA-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).