About trimethyl-[2-[[(1R)-1-prop-2-ynyl-4-tri(propan-2-yl)silyloxycyclohexa-2,4-dien-1-yl]methoxymethoxy]ethyl]silane
trimethyl-[2-[[(1R)-1-prop-2-ynyl-4-tri(propan-2-yl)silyloxycyclohexa-2,4-dien-1-yl]methoxymethoxy]ethyl]silane (PubChem CID 24808688) has the molecular formula C25H46O3Si2
and a molecular weight of 450.81 g/mol. Its IUPAC name is trimethyl-[2-[[(1R)-1-prop-2-ynyl-4-tri(propan-2-yl)silyloxycyclohexa-2,4-dien-1-yl]methoxymethoxy]ethyl]silane.
Molecular Properties
| Compound Name | trimethyl-[2-[[(1R)-1-prop-2-ynyl-4-tri(propan-2-yl)silyloxycyclohexa-2,4-dien-1-yl]methoxymethoxy]ethyl]silane |
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| PubChem CID | 24808688 |
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| Molecular Formula | C25H46O3Si2 |
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| Molecular Weight | 450.81 g/mol |
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| Exact Mass | 450.30 |
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| IUPAC Name | trimethyl-[2-[[(1R)-1-prop-2-ynyl-4-tri(propan-2-yl)silyloxycyclohexa-2,4-dien-1-yl]methoxymethoxy]ethyl]silane |
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| SMILES | C#CC[C@@]1(COCOCC[Si](C)(C)C)C=CC(O[Si](C(C)C)(C(C)C)C(C)C)=CC1 |
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| InChI | InChI=1S/C25H46O3Si2/c1-11-14-25(19-27-20-26-17-18-29(8,9)10)15-12-24(13-16-25)28-30(21(2)3,22(4)5)23(6)7/h1,12-13,15,21-23H,14,16-20H2,2-10H3/t25-/m1/s1 |
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| InChIKey | YMIJACLQAAYLRC-RUZDIDTESA-N |
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| XLogP | 7.36 |
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| TPSA | 27.69 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 13 |
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| Heavy Atoms | 30 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 450.81 |
| LogP ≤ 5 | 7.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of trimethyl-[2-[[(1R)-1-prop-2-ynyl-4-tri(propan-2-yl)silyloxycyclohexa-2,4-dien-1-yl]methoxymethoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[(1R)-1-prop-2-ynyl-4-tri(propan-2-yl)silyloxycyclohexa-2,4-dien-1-yl]methoxymethoxy]ethyl]silane (CID 24808688) is trimethyl-[2-[[(1R)-1-prop-2-ynyl-4-tri(propan-2-yl)silyloxycyclohexa-2,4-dien-1-yl]methoxymethoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[(1R)-1-prop-2-ynyl-4-tri(propan-2-yl)silyloxycyclohexa-2,4-dien-1-yl]methoxymethoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[(1R)-1-prop-2-ynyl-4-tri(propan-2-yl)silyloxycyclohexa-2,4-dien-1-yl]methoxymethoxy]ethyl]silane is C#CC[C@@]1(COCOCC[Si](C)(C)C)C=CC(O[Si](C(C)C)(C(C)C)C(C)C)=CC1.
What is the InChIKey of trimethyl-[2-[[(1R)-1-prop-2-ynyl-4-tri(propan-2-yl)silyloxycyclohexa-2,4-dien-1-yl]methoxymethoxy]ethyl]silane?
The InChIKey is YMIJACLQAAYLRC-RUZDIDTESA-N. The full InChI is InChI=1S/C25H46O3Si2/c1-11-14-25(19-27-20-26-17-18-29(8,9)10)15-12-24(13-16-25)28-30(21(2)3,22(4)5)23(6)7/h1,12-13,15,21-23H,14,16-20H2,2-10H3/t25-/m1/s1.
What are the key properties of trimethyl-[2-[[(1R)-1-prop-2-ynyl-4-tri(propan-2-yl)silyloxycyclohexa-2,4-dien-1-yl]methoxymethoxy]ethyl]silane?
trimethyl-[2-[[(1R)-1-prop-2-ynyl-4-tri(propan-2-yl)silyloxycyclohexa-2,4-dien-1-yl]methoxymethoxy]ethyl]silane has a molecular weight of 450.81 g/mol, XLogP of 7.36, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[(1R)-1-prop-2-ynyl-4-tri(propan-2-yl)silyloxycyclohexa-2,4-dien-1-yl]methoxymethoxy]ethyl]silane is sourced from PubChem (CID 24808688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).