About [3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane
[3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 25227867) has the molecular formula C22H38O2Si
and a molecular weight of 362.63 g/mol. Its IUPAC name is [3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane.
Molecular Properties
| Compound Name | [3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane |
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| PubChem CID | 25227867 |
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| Molecular Formula | C22H38O2Si |
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| Molecular Weight | 362.63 g/mol |
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| Exact Mass | 362.26 |
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| IUPAC Name | [3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane |
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| SMILES | C=CCC1(CC=C)C=C(OC)C(C)=C1O[Si](C(C)C)(C(C)C)C(C)C |
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| InChI | InChI=1S/C22H38O2Si/c1-11-13-22(14-12-2)15-20(23-10)19(9)21(22)24-25(16(3)4,17(5)6)18(7)8/h11-12,15-18H,1-2,13-14H2,3-10H3 |
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| InChIKey | HALSJMBQJJXBQQ-UHFFFAOYSA-N |
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| XLogP | 7.14 |
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| TPSA | 18.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 25 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 362.63 |
| LogP ≤ 5 | 7.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane (CID 25227867) is [3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane is C=CCC1(CC=C)C=C(OC)C(C)=C1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is HALSJMBQJJXBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2Si/c1-11-13-22(14-12-2)15-20(23-10)19(9)21(22)24-25(16(3)4,17(5)6)18(7)8/h11-12,15-18H,1-2,13-14H2,3-10H3.
What are the key properties of [3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane?
[3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 362.63 g/mol, XLogP of 7.14, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 25227867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).