About chloro-dimethyl-oct-7-en-2-ylsilane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;chloro-hex-5-enyl-dimethylsilane;chlorosilane
chloro-dimethyl-oct-7-en-2-ylsilane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;chloro-hex-5-enyl-dimethylsilane;chlorosilane (PubChem CID 161328067) has the molecular formula C27H58Cl4O2Si4
and a molecular weight of 668.92 g/mol. Its IUPAC name is chloro-dimethyl-oct-7-en-2-ylsilane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;chloro-hex-5-enyl-dimethylsilane;chlorosilane.
Molecular Properties
| Compound Name | chloro-dimethyl-oct-7-en-2-ylsilane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;chloro-hex-5-enyl-dimethylsilane;chlorosilane |
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| PubChem CID | 161328067 |
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| Molecular Formula | C27H58Cl4O2Si4 |
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| Molecular Weight | 668.92 g/mol |
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| Exact Mass | 666.23 |
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| IUPAC Name | chloro-dimethyl-oct-7-en-2-ylsilane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;chloro-hex-5-enyl-dimethylsilane;chlorosilane |
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| SMILES | C=C(C)C(=O)OCCC[Si](C)(C)Cl.C=CCCCCC(C)[Si](C)(C)Cl.C=CCCCC[Si](C)(C)Cl.[SiH3]Cl |
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| InChI | InChI=1S/C10H21ClSi.C9H17ClO2Si.C8H17ClSi.ClH3Si/c1-5-6-7-8-9-10(2)12(3,4)11;1-8(2)9(11)12-6-5-7-13(3,4)10;1-4-5-6-7-8-10(2,3)9;1-2/h5,10H,1,6-9H2,2-4H3;1,5-7H2,2-4H3;4H,1,5-8H2,2-3H3;2H3 |
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| InChIKey | VLASFQWFABCPBM-UHFFFAOYSA-N |
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| XLogP | 10.80 |
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| TPSA | 26.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 16 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 668.92 |
| LogP ≤ 5 | 10.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of chloro-dimethyl-oct-7-en-2-ylsilane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;chloro-hex-5-enyl-dimethylsilane;chlorosilane?
The IUPAC name of chloro-dimethyl-oct-7-en-2-ylsilane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;chloro-hex-5-enyl-dimethylsilane;chlorosilane (CID 161328067) is chloro-dimethyl-oct-7-en-2-ylsilane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;chloro-hex-5-enyl-dimethylsilane;chlorosilane.
What is the SMILES notation for chloro-dimethyl-oct-7-en-2-ylsilane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;chloro-hex-5-enyl-dimethylsilane;chlorosilane?
The canonical SMILES for chloro-dimethyl-oct-7-en-2-ylsilane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;chloro-hex-5-enyl-dimethylsilane;chlorosilane is C=C(C)C(=O)OCCC[Si](C)(C)Cl.C=CCCCCC(C)[Si](C)(C)Cl.C=CCCCC[Si](C)(C)Cl.[SiH3]Cl.
What is the InChIKey of chloro-dimethyl-oct-7-en-2-ylsilane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;chloro-hex-5-enyl-dimethylsilane;chlorosilane?
The InChIKey is VLASFQWFABCPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClSi.C9H17ClO2Si.C8H17ClSi.ClH3Si/c1-5-6-7-8-9-10(2)12(3,4)11;1-8(2)9(11)12-6-5-7-13(3,4)10;1-4-5-6-7-8-10(2,3)9;1-2/h5,10H,1,6-9H2,2-4H3;1,5-7H2,2-4H3;4H,1,5-8H2,2-3H3;2H3.
What are the key properties of chloro-dimethyl-oct-7-en-2-ylsilane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;chloro-hex-5-enyl-dimethylsilane;chlorosilane?
chloro-dimethyl-oct-7-en-2-ylsilane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;chloro-hex-5-enyl-dimethylsilane;chlorosilane has a molecular weight of 668.92 g/mol, XLogP of 10.80, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-oct-7-en-2-ylsilane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;chloro-hex-5-enyl-dimethylsilane;chlorosilane is sourced from PubChem (CID 161328067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).