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Molecule
9,9-Bis(Methoxymethyl)Fluorene
CAS: 182121-12-6 · C17H18O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 182121-12-6
- Molecular Formula
- C17H18O2
- Molecular Mass
- 254.33 g/mol
Identifiers
CAS Registry Number
182121-12-6
SMILES
COCC1(COC)c2ccccc2-c2ccccc21
InChI Key
ZWINORFLMHROGF-UHFFFAOYSA-N
InChI
InChI=1S/C17H18O2/c1-18-11-17(12-19-2)15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10H,11-12H2,1-2H3
Names and Synonyms
- 9,9-Bis(Methoxymethyl)Fluorene Synonym
- 9H-Fluorene, 9,9-bis(methoxymethyl)- Synonym
- 9,9-Bis(methoxymethyl)-9H-fluorene Synonym
- 9,9-Bis(methoxymethyl)fluorene Synonym
- 9,9-Di(methoxymethyl)fluorene Synonym
- FP 1 Synonym
- 9,9-Bis(methoxylmethyl) fluorine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 254.33 g/mol | CAS Common Chemistry |
| 254.329 g/mol | RDKit | |
| Canonical SMILES | O(C)CC1(C=2C=CC=CC2C=3C=CC=CC31)COC | CAS Common Chemistry |
| InChI | InChI=1S/C17H18O2/c1-18-11-17(12-19-2)15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10H,11-12H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZWINORFLMHROGF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 9,9-Bis(methoxymethyl)fluorene | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 3.2459000000000024 | RDKit |
| 3.2459 | RDKit | |
| 3.42 | chempirical lib | |
| Molar Refractivity | 76.41000000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2941 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 254.130679816 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 254.33 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H18O2.
