About [(5R,6S)-5-(methoxymethoxymethyl)-6-methyl-6-(4-methylpent-3-enyl)-2-tri(propan-2-yl)silyloxycyclohexen-1-yl]methoxy-tri(propan-2-yl)silane
[(5R,6S)-5-(methoxymethoxymethyl)-6-methyl-6-(4-methylpent-3-enyl)-2-tri(propan-2-yl)silyloxycyclohexen-1-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 11422124) has the molecular formula C35H70O4Si2
and a molecular weight of 611.11 g/mol. Its IUPAC name is [(5R,6S)-5-(methoxymethoxymethyl)-6-methyl-6-(4-methylpent-3-enyl)-2-tri(propan-2-yl)silyloxycyclohexen-1-yl]methoxy-tri(propan-2-yl)silane.
Molecular Properties
| Compound Name | [(5R,6S)-5-(methoxymethoxymethyl)-6-methyl-6-(4-methylpent-3-enyl)-2-tri(propan-2-yl)silyloxycyclohexen-1-yl]methoxy-tri(propan-2-yl)silane |
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| PubChem CID | 11422124 |
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| Molecular Formula | C35H70O4Si2 |
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| Molecular Weight | 611.11 g/mol |
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| Exact Mass | 610.48 |
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| IUPAC Name | [(5R,6S)-5-(methoxymethoxymethyl)-6-methyl-6-(4-methylpent-3-enyl)-2-tri(propan-2-yl)silyloxycyclohexen-1-yl]methoxy-tri(propan-2-yl)silane |
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| SMILES | COCOC[C@@H]1CCC(O[Si](C(C)C)(C(C)C)C(C)C)=C(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@]1(C)CCC=C(C)C |
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| InChI | InChI=1S/C35H70O4Si2/c1-25(2)18-17-21-35(15)32(22-37-24-36-16)19-20-34(39-41(29(9)10,30(11)12)31(13)14)33(35)23-38-40(26(3)4,27(5)6)28(7)8/h18,26-32H,17,19-24H2,1-16H3/t32-,35-/m0/s1 |
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| InChIKey | OIRUBVQYCMTKMB-SHUZPENHSA-N |
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| XLogP | 11.41 |
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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 | 18 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 611.11 |
| LogP ≤ 5 | 11.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(5R,6S)-5-(methoxymethoxymethyl)-6-methyl-6-(4-methylpent-3-enyl)-2-tri(propan-2-yl)silyloxycyclohexen-1-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(5R,6S)-5-(methoxymethoxymethyl)-6-methyl-6-(4-methylpent-3-enyl)-2-tri(propan-2-yl)silyloxycyclohexen-1-yl]methoxy-tri(propan-2-yl)silane (CID 11422124) is [(5R,6S)-5-(methoxymethoxymethyl)-6-methyl-6-(4-methylpent-3-enyl)-2-tri(propan-2-yl)silyloxycyclohexen-1-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(5R,6S)-5-(methoxymethoxymethyl)-6-methyl-6-(4-methylpent-3-enyl)-2-tri(propan-2-yl)silyloxycyclohexen-1-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(5R,6S)-5-(methoxymethoxymethyl)-6-methyl-6-(4-methylpent-3-enyl)-2-tri(propan-2-yl)silyloxycyclohexen-1-yl]methoxy-tri(propan-2-yl)silane is COCOC[C@@H]1CCC(O[Si](C(C)C)(C(C)C)C(C)C)=C(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@]1(C)CCC=C(C)C.
What is the InChIKey of [(5R,6S)-5-(methoxymethoxymethyl)-6-methyl-6-(4-methylpent-3-enyl)-2-tri(propan-2-yl)silyloxycyclohexen-1-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is OIRUBVQYCMTKMB-SHUZPENHSA-N. The full InChI is InChI=1S/C35H70O4Si2/c1-25(2)18-17-21-35(15)32(22-37-24-36-16)19-20-34(39-41(29(9)10,30(11)12)31(13)14)33(35)23-38-40(26(3)4,27(5)6)28(7)8/h18,26-32H,17,19-24H2,1-16H3/t32-,35-/m0/s1.
What are the key properties of [(5R,6S)-5-(methoxymethoxymethyl)-6-methyl-6-(4-methylpent-3-enyl)-2-tri(propan-2-yl)silyloxycyclohexen-1-yl]methoxy-tri(propan-2-yl)silane?
[(5R,6S)-5-(methoxymethoxymethyl)-6-methyl-6-(4-methylpent-3-enyl)-2-tri(propan-2-yl)silyloxycyclohexen-1-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 611.11 g/mol, XLogP of 11.41, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,6S)-5-(methoxymethoxymethyl)-6-methyl-6-(4-methylpent-3-enyl)-2-tri(propan-2-yl)silyloxycyclohexen-1-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11422124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).