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1,3-Bis(3-Carboxypropyl)Tetramethyldisiloxane
CAS: 3353-68-2 | C12H26O5Si2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
3353-68-2
Molecular Formula:
C12H26O5Si2
Molecular Mass:
306.51 g/mol
Names and Synonyms:
1,3-Bis(3-Carboxypropyl)Tetramethyldisiloxane
Butanoic acid, 4,4′-(1,1,3,3-tetramethyl-1,3-disiloxanediyl)bis-
6-Oxa-5,7-disilaundecanedioic acid, 5,5,7,7-tetramethyl-
4,4′-(1,1,3,3-Tetramethyl-1,3-disiloxanediyl)bis[butanoic acid]
4,6-Disila-5-oxanonane-1,9-dicarboxylic acid, 4,4,6,6-tetramethyl-
1,3-Bis(3-carboxypropyl)tetramethyldisiloxane
1,3-Bis(3-carboxypropyl)-1,1,3,3-tetramethyldisiloxane
Identifiers:
SMILES:
C[Si](C)(CCCC(=O)O)O[Si](C)(C)CCCC(=O)O
InChI:
InChI=1S/C12H26O5Si2/c1-18(2,9-5-7-11(13)14)17-19(3,4)10-6-8-12(15)16/h5-10H2,1-4H3,(H,13,14)(H,15,16)
Key Properties
Melting Point
46-49 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 306.51 g/mol | CAS Common Chemistry |
| 306.50700000000006 g/mol | RDKit | |
| 306.13187699199995 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCC[Si](O[Si](C)(C)CCCC(=O)O)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H26O5Si2/c1-18(2,9-5-7-11(13)14)17-19(3,4)10-6-8-12(15)16/h5-10H2,1-4H3,(H,13,14)(H,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=DNNFJTRYBMVMPE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 46-49 °C | CAS Common Chemistry |
| Name | 1,3-Bis(3-carboxypropyl)tetramethyldisiloxane | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 83.83 Ų | RDKit |
| LogP | 3.142800000000001 | RDKit |
| Molar Refractivity | 79.40260000000005 | RDKit |
