About tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane
tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane (PubChem CID 135055285) has the molecular formula C27H56O4Si2
and a molecular weight of 500.91 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane.
Molecular Properties
| Compound Name | tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane |
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| PubChem CID | 135055285 |
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| Molecular Formula | C27H56O4Si2 |
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| Molecular Weight | 500.91 g/mol |
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| Exact Mass | 500.37 |
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| IUPAC Name | tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane |
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| SMILES | CC(C)[Si](OC[C@H](C)C1CCCC2(CC[C@@H](CO[Si](C)(C)C(C)(C)C)O2)O1)(C(C)C)C(C)C |
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| InChI | InChI=1S/C27H56O4Si2/c1-20(2)33(21(3)4,22(5)6)29-18-23(7)25-14-13-16-27(31-25)17-15-24(30-27)19-28-32(11,12)26(8,9)10/h20-25H,13-19H2,1-12H3/t23-,24-,25?,27?/m0/s1 |
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| InChIKey | KAHSXCKTLFLNNC-CAEFQKATSA-N |
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| XLogP | 8.28 |
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| TPSA | 36.92 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 500.91 |
| LogP ≤ 5 | 8.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Analyze tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane with MolForge
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Frequently Asked Questions
What is the IUPAC name of tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane (CID 135055285) is tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane is CC(C)[Si](OC[C@H](C)C1CCCC2(CC[C@@H](CO[Si](C)(C)C(C)(C)C)O2)O1)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane?
The InChIKey is KAHSXCKTLFLNNC-CAEFQKATSA-N. The full InChI is InChI=1S/C27H56O4Si2/c1-20(2)33(21(3)4,22(5)6)29-18-23(7)25-14-13-16-27(31-25)17-15-24(30-27)19-28-32(11,12)26(8,9)10/h20-25H,13-19H2,1-12H3/t23-,24-,25?,27?/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane has a molecular weight of 500.91 g/mol, XLogP of 8.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane is sourced from PubChem (CID 135055285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).