trimethyl-[2-[(1S,5S,6R,9S)-9-(phenylmethoxymethyl)-7-oxa-8-azatricyclo[6.4.0.01,5]dodecan-6-yl]ethynyl]silane

C23H33NO2Si — CID 71483630

IUPACtrimethyl-[2-[(1S,5S,6R,9S)-9-(phenylmethoxymethyl)-7-oxa-8-azatricyclo[6.4.0.01,5]dodecan-6-yl]ethynyl]silane
SMILESC[Si](C)(C)C#C[C@@H]1ON2[C@H](COCc3ccccc3)CCC[C@]23CCC[C@H]13
InChIInChI=1S/C23H33NO2Si/c1-27(2,3)16-13-22-21-12-8-15-23(21)14-7-11-20(24(23)26-22)18-25-17-19-9-5-4-6-10-19/h4-6,9-10,20-22H,7-8,11-12,14-15,17-18H2,1-3H3/t20-,21+,22-,23+/m0/s1
InChIKeyMIJROXUXQLIKNH-GSPCLOLRSA-N
MW383.61 g/mol
LogP4.79
Rot. Bonds4

About trimethyl-[2-[(1S,5S,6R,9S)-9-(phenylmethoxymethyl)-7-oxa-8-azatricyclo[6.4.0.01,5]dodecan-6-yl]ethynyl]silane

trimethyl-[2-[(1S,5S,6R,9S)-9-(phenylmethoxymethyl)-7-oxa-8-azatricyclo[6.4.0.01,5]dodecan-6-yl]ethynyl]silane (PubChem CID 71483630) has the molecular formula C23H33NO2Si and a molecular weight of 383.61 g/mol. Its IUPAC name is trimethyl-[2-[(1S,5S,6R,9S)-9-(phenylmethoxymethyl)-7-oxa-8-azatricyclo[6.4.0.01,5]dodecan-6-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(1S,5S,6R,9S)-9-(phenylmethoxymethyl)-7-oxa-8-azatricyclo[6.4.0.01,5]dodecan-6-yl]ethynyl]silane
PubChem CID71483630
Molecular FormulaC23H33NO2Si
Molecular Weight383.61 g/mol
Exact Mass383.23
IUPAC Nametrimethyl-[2-[(1S,5S,6R,9S)-9-(phenylmethoxymethyl)-7-oxa-8-azatricyclo[6.4.0.01,5]dodecan-6-yl]ethynyl]silane
SMILESC[Si](C)(C)C#C[C@@H]1ON2[C@H](COCc3ccccc3)CCC[C@]23CCC[C@H]13
InChIInChI=1S/C23H33NO2Si/c1-27(2,3)16-13-22-21-12-8-15-23(21)14-7-11-20(24(23)26-22)18-25-17-19-9-5-4-6-10-19/h4-6,9-10,20-22H,7-8,11-12,14-15,17-18H2,1-3H3/t20-,21+,22-,23+/m0/s1
InChIKeyMIJROXUXQLIKNH-GSPCLOLRSA-N
XLogP4.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.61
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-[(1S,5S,6R,9S)-9-(phenylmethoxymethyl)-7-oxa-8-azatricyclo[6.4.0.01,5]dodecan-6-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[(1S,5S,6R,9S)-9-(phenylmethoxymethyl)-7-oxa-8-azatricyclo[6.4.0.01,5]dodecan-6-yl]ethynyl]silane (CID 71483630) is trimethyl-[2-[(1S,5S,6R,9S)-9-(phenylmethoxymethyl)-7-oxa-8-azatricyclo[6.4.0.01,5]dodecan-6-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[(1S,5S,6R,9S)-9-(phenylmethoxymethyl)-7-oxa-8-azatricyclo[6.4.0.01,5]dodecan-6-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[(1S,5S,6R,9S)-9-(phenylmethoxymethyl)-7-oxa-8-azatricyclo[6.4.0.01,5]dodecan-6-yl]ethynyl]silane is C[Si](C)(C)C#C[C@@H]1ON2[C@H](COCc3ccccc3)CCC[C@]23CCC[C@H]13.
What is the InChIKey of trimethyl-[2-[(1S,5S,6R,9S)-9-(phenylmethoxymethyl)-7-oxa-8-azatricyclo[6.4.0.01,5]dodecan-6-yl]ethynyl]silane?
The InChIKey is MIJROXUXQLIKNH-GSPCLOLRSA-N. The full InChI is InChI=1S/C23H33NO2Si/c1-27(2,3)16-13-22-21-12-8-15-23(21)14-7-11-20(24(23)26-22)18-25-17-19-9-5-4-6-10-19/h4-6,9-10,20-22H,7-8,11-12,14-15,17-18H2,1-3H3/t20-,21+,22-,23+/m0/s1.
What are the key properties of trimethyl-[2-[(1S,5S,6R,9S)-9-(phenylmethoxymethyl)-7-oxa-8-azatricyclo[6.4.0.01,5]dodecan-6-yl]ethynyl]silane?
trimethyl-[2-[(1S,5S,6R,9S)-9-(phenylmethoxymethyl)-7-oxa-8-azatricyclo[6.4.0.01,5]dodecan-6-yl]ethynyl]silane has a molecular weight of 383.61 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(1S,5S,6R,9S)-9-(phenylmethoxymethyl)-7-oxa-8-azatricyclo[6.4.0.01,5]dodecan-6-yl]ethynyl]silane is sourced from PubChem (CID 71483630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).