About [(2,3-ditert-butylcycloprop-2-en-1-ylidene)-tri(propan-2-yl)silylsilyl]-tri(propan-2-yl)silane
[(2,3-ditert-butylcycloprop-2-en-1-ylidene)-tri(propan-2-yl)silylsilyl]-tri(propan-2-yl)silane (PubChem CID 101357879) has the molecular formula C29H60Si3
and a molecular weight of 493.06 g/mol. Its IUPAC name is [(2,3-ditert-butylcycloprop-2-en-1-ylidene)-tri(propan-2-yl)silylsilyl]-tri(propan-2-yl)silane.
Molecular Properties
| Compound Name | [(2,3-ditert-butylcycloprop-2-en-1-ylidene)-tri(propan-2-yl)silylsilyl]-tri(propan-2-yl)silane |
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| PubChem CID | 101357879 |
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| Molecular Formula | C29H60Si3 |
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| Molecular Weight | 493.06 g/mol |
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| Exact Mass | 492.40 |
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| IUPAC Name | [(2,3-ditert-butylcycloprop-2-en-1-ylidene)-tri(propan-2-yl)silylsilyl]-tri(propan-2-yl)silane |
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| SMILES | CC(C)[Si](C(C)C)(C(C)C)[Si](=C1C(C(C)(C)C)=C1C(C)(C)C)[Si](C(C)C)(C(C)C)C(C)C |
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| InChI | InChI=1S/C29H60Si3/c1-19(2)31(20(3)4,21(5)6)30(32(22(7)8,23(9)10)24(11)12)27-25(28(13,14)15)26(27)29(16,17)18/h19-24H,1-18H3 |
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| InChIKey | FHLSOWCCRYHMED-UHFFFAOYSA-N |
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| XLogP | 10.15 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 493.06 |
| LogP ≤ 5 | 10.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(2,3-ditert-butylcycloprop-2-en-1-ylidene)-tri(propan-2-yl)silylsilyl]-tri(propan-2-yl)silane?
The IUPAC name of [(2,3-ditert-butylcycloprop-2-en-1-ylidene)-tri(propan-2-yl)silylsilyl]-tri(propan-2-yl)silane (CID 101357879) is [(2,3-ditert-butylcycloprop-2-en-1-ylidene)-tri(propan-2-yl)silylsilyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2,3-ditert-butylcycloprop-2-en-1-ylidene)-tri(propan-2-yl)silylsilyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(2,3-ditert-butylcycloprop-2-en-1-ylidene)-tri(propan-2-yl)silylsilyl]-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)[Si](=C1C(C(C)(C)C)=C1C(C)(C)C)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2,3-ditert-butylcycloprop-2-en-1-ylidene)-tri(propan-2-yl)silylsilyl]-tri(propan-2-yl)silane?
The InChIKey is FHLSOWCCRYHMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60Si3/c1-19(2)31(20(3)4,21(5)6)30(32(22(7)8,23(9)10)24(11)12)27-25(28(13,14)15)26(27)29(16,17)18/h19-24H,1-18H3.
What are the key properties of [(2,3-ditert-butylcycloprop-2-en-1-ylidene)-tri(propan-2-yl)silylsilyl]-tri(propan-2-yl)silane?
[(2,3-ditert-butylcycloprop-2-en-1-ylidene)-tri(propan-2-yl)silylsilyl]-tri(propan-2-yl)silane has a molecular weight of 493.06 g/mol, XLogP of 10.15, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3-ditert-butylcycloprop-2-en-1-ylidene)-tri(propan-2-yl)silylsilyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 101357879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).