SDF/Mol File of 2-METHYL-2-BUTANOL (C5H12O)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 2-METHYL-2-BUTANOL Molecule

• Chemical structure of 2-METHYL-2-BUTANOL

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 2-METHYL-2-BUTANOL is available in chemical structure page of 2-METHYL-2-BUTANOL, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 2-METHYL-2-BUTANOL

  The molecular weight of 2-METHYL-2-BUTANOL is available in molecular weight page of 2-METHYL-2-BUTANOL, 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 2-METHYL-2-BUTANOL

  The chemical formula of 2-METHYL-2-BUTANOL is given in chemical formula page of 2-METHYL-2-BUTANOL, 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 2-METHYL-2-BUTANOL

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 2-METHYL-2-BUTANOL is:

  InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3

  It can provide a standard way to encode the molecular information of 2-METHYL-2-BUTANOL 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 2-METHYL-2-BUTANOL is:

  InChIKey=MSXVEPNJUHWQHW-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 2-METHYL-2-BUTANOL, but it needs to be linked to the full InChI to get back to the original structure of the 2-METHYL-2-BUTANOL since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 2-METHYL-2-BUTANOL

  The 2-METHYL-2-BUTANOL compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 2-METHYL-2-BUTANOL including the registry numbers are listed below, if available:

  • BBV-46883669
  • 25-85-4
  • 5A800302-5F41-4E10-9197-D3B0BD85C237
  • F0001-1906
  • t-Amyl Alchohol, pharmaceutical secondary standard;
  • J-510046
  • I14-7808
  • A838528
  • D02931
  • 2-Methyl-2-butanol, ReagentPlus(R), >=99%

  • P0059
  • 2-Methyl-2-butanol, ReagentPlus(R), 99%
  • 2-Methyl-2-butanol, anhydrous, >=99%
  • 2-Methyl-2-butanol, analytical standard
  • CAS-75-85-4
  • RTR-024354
  • CCG-213670
  • 69C393R11Z
  • 2-Methyl-2-butanol, 98% 500ml
  • MFCD00004478

  • ANW-36689
  • 7338AF
  • Pharmakon1600-01301017
  • LTBB001119
  • HMS3264I17
  • PROPOXY, 1,1-DIMETHYL-
  • 2M2B
  • C2H5C(CH3)2OH
  • 2-BUTANOL,2-METHYL
  • 3-Hydroxy-3-methyl butane

  • methyl-tert-butyl alcohol
  • Amylene hydrate (NF)
  • Methyl-3 butanol-3
  • Methyl-2 butanol-2
  • 1,1-dimethylpropanol
  • tertiary amyl alcohol
  • dimethyl-1-propanol
  • tert-amyl-alcohol
  • tertamyl alcohol
  • Amylene hydrate [USAN]

  • amylenhydrate
  • 3-Methyl-butanol-(3) [German]
  • 2-Methyl-butan-2-ol
  • C5H12O
  • 3-Methyl-butanol-(3)
  • tert-amylalcohol
  • Amylalkohol, tertiaerer
  • Amylenum hydratum
  • tert-n-Amyl alcohol
  • 1,1-Dimethyl-1-propanol

  • 2-Methyl butanol-2
  • Ethyl dimethyl carbinol
  • Dimethyl ethyl carbinol
  • 3-Methylbutan-3-ol
  • t-Pentyl alcohol
  • tert-Isoamyl alcohol
  • Ethyldimethylcarbinol
  • Dimethylethylcarbinol
  • 2-Butanol, 2-methyl-
  • t-Amyl alcohol

  • tert-Pentanol
  • tert-Pentyl alcohol
  • Amylene hydrate
  • 75-85-4
  • tert-Amyl alcohol
  • 2-METHYL-2-BUTANOL

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2-METHYL-2-BUTANOL Identification Summary Frequently Asked Questions (FAQs)

What’s the 2-METHYL-2-BUTANOL formula?
C5H12O
How many atoms and what elements are included in the 2-METHYL-2-BUTANOL molecule?
18 atom(s) - 12 Hydrogen atom(s), 5 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the 2-METHYL-2-BUTANOL structure?
17 bond(s) - 5 non-H bond(s), 1 rotatable bond(s), 1 hydroxyl group(s), and 1 tertiary alcohol(s)
What’s the 2-METHYL-2-BUTANOL’s molar mass?
88.14818 g/mol
What’s the SMILES structure of 2-METHYL-2-BUTANOL?
CCC(C)(C)O
What’s the InChI code of 2-METHYL-2-BUTANOL?
InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3
What’s the InChIKey format of 2-METHYL-2-BUTANOL?
MSXVEPNJUHWQHW-UHFFFAOYSA-N

94 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).