SDF/Mol File of (+)-Menthofuran (C10H14O)
Identification of (+)-Menthofuran Chemical Compound
| Chemical Formula | C10H14O |
|---|---|
| Molecular Weight | 150.21756 g/mol |
| IUPAC Name | (6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran |
| SMILES String | CC2CCc1c(C)coc1C2 |
| InChI | InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1 |
| InChIKey | YGWKXXYGDYYFJU-SSDOTTSWSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of (+)-Menthofuran is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of (+)-Menthofuran molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying (+)-Menthofuran Molecule
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Chemical structure of (+)-Menthofuran
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (+)-Menthofuran is available in chemical structure page of (+)-Menthofuran, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of (+)-Menthofuran
The molecular weight of (+)-Menthofuran is available in molecular weight page of (+)-Menthofuran, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of (+)-Menthofuran
The chemical formula of (+)-Menthofuran is given in chemical formula page of (+)-Menthofuran, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of (+)-Menthofuran
An alternative way of expressing structural information in text format is InChI. The full standard InChI of (+)-Menthofuran is:
InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1
It can provide a standard way to encode the molecular information of (+)-Menthofuran 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 (+)-Menthofuran is:
InChIKey=YGWKXXYGDYYFJU-SSDOTTSWSA-N
The InChIKey may allow easier web searches for (+)-Menthofuran, but it needs to be linked to the full InChI to get back to the original structure of the (+)-Menthofuran since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of (+)-Menthofuran
The (+)-Menthofuran compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (+)-Menthofuran including the registry numbers are listed below, if available:
- (+)-Menthofuran, primary pharmaceutical reference standard
- (R)-4,5,6,7-tetrahydro-3,6-dimethylbenzofuran
- (+)-Menthofuran, technical, >=90% (GC)
- LMPR0102090020
- (+)-Menthofuran, analytical standard
- BDBM50101991
- 9N0IS8189W
- Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl-, (R)-
- tetrahydrodimethyl benzofuran
- p-Mentha-3,8-diene, 3,9-epoxy-, (+)-
- J-500057
- (R)-3,6-Dimethyl-4,5,6,7-tetrahydrobenzofuran
- (+)-3,9-Epoxy-p-mentha-3,8-diene
- 17957-94-7
- (R)-Menthofuran
- (+)-Menthofuran
(+)-Menthofuran Identification Summary Frequently Asked Questions (FAQs)
| What’s the (+)-Menthofuran formula? |
|---|
| C10H14O |
| How many atoms and what elements are included in the (+)-Menthofuran molecule? |
| 25 atom(s) - 14 Hydrogen atom(s), 10 Carbon atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the (+)-Menthofuran structure? |
| 26 bond(s) - 12 non-H bond(s), 5 multiple bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), and 1 Furane(s) |
| What’s the (+)-Menthofuran’s molar mass? |
| 150.21756 g/mol |
| What’s the SMILES structure of (+)-Menthofuran? |
| CC2CCc1c(C)coc1C2 |
| What’s the InChI code of (+)-Menthofuran? |
| InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1 |
| What’s the InChIKey format of (+)-Menthofuran? |
| YGWKXXYGDYYFJU-SSDOTTSWSA-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).