trimethyl-[2-[(1R,5S,8S,12S)-5-(phenylmethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecan-12-yl]ethynyl]silane

C23H33NO2Si — CID 71483629

IUPACtrimethyl-[2-[(1R,5S,8S,12S)-5-(phenylmethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecan-12-yl]ethynyl]silane
SMILESC[Si](C)(C)C#C[C@@H]1[C@@H]2CCC[C@]13CCC[C@@H](COCc1ccccc1)N3O2
InChIInChI=1S/C23H33NO2Si/c1-27(2,3)16-13-21-22-12-8-15-23(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
InChIKeyAIBAXCPXYRFTIR-GSPCLOLRSA-N
MW383.61 g/mol
LogP4.79
Rot. Bonds4

About trimethyl-[2-[(1R,5S,8S,12S)-5-(phenylmethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecan-12-yl]ethynyl]silane

trimethyl-[2-[(1R,5S,8S,12S)-5-(phenylmethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecan-12-yl]ethynyl]silane (PubChem CID 71483629) has the molecular formula C23H33NO2Si and a molecular weight of 383.61 g/mol. Its IUPAC name is trimethyl-[2-[(1R,5S,8S,12S)-5-(phenylmethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecan-12-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(1R,5S,8S,12S)-5-(phenylmethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecan-12-yl]ethynyl]silane
PubChem CID71483629
Molecular FormulaC23H33NO2Si
Molecular Weight383.61 g/mol
Exact Mass383.23
IUPAC Nametrimethyl-[2-[(1R,5S,8S,12S)-5-(phenylmethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecan-12-yl]ethynyl]silane
SMILESC[Si](C)(C)C#C[C@@H]1[C@@H]2CCC[C@]13CCC[C@@H](COCc1ccccc1)N3O2
InChIInChI=1S/C23H33NO2Si/c1-27(2,3)16-13-21-22-12-8-15-23(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
InChIKeyAIBAXCPXYRFTIR-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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Related Compounds

trimethyl-[(Z)-4-[(5S)-5-(phenylmethoxymethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecan-12-yl]but-3-en-1-ynyl]silane
CID 101185662
(5S)-12-[(Z)-2-iodoethenyl]-5-(phenylmethoxymethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecane
CID 101185661
trimethyl-[2-[(1R,2R,3R)-2-methyl-3-(phenylmethoxymethyl)cyclopropyl]ethynyl]silane
CID 10564136
2-(1-benzyl-1-azaspiro[2.3]hexan-2-yl)ethynyl-trimethylsilane
CID 53387618
(3S)-3-(phenylmethoxymethyl)-2,3,5,6,7,7a,8,9,10,11-decahydro-1H-pyrrolo[2,1-j]quinoline-5-carbonitrile
CID 134853930
2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 10941465
(3R,5S,7aS,11aR)-5-hexyl-3-(phenylmethoxymethyl)-2,3,5,6,7,7a,8,9,10,11-decahydro-1H-pyrrolo[2,1-j]quinoline
CID 10572055
1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one
CID 10022740
(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine
CID 54001693
(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
CID 10501247
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CID 175267001
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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(1R,5S,8S,12S)-5-(phenylmethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecan-12-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[(1R,5S,8S,12S)-5-(phenylmethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecan-12-yl]ethynyl]silane (CID 71483629) is trimethyl-[2-[(1R,5S,8S,12S)-5-(phenylmethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecan-12-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[(1R,5S,8S,12S)-5-(phenylmethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecan-12-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[(1R,5S,8S,12S)-5-(phenylmethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecan-12-yl]ethynyl]silane is C[Si](C)(C)C#C[C@@H]1[C@@H]2CCC[C@]13CCC[C@@H](COCc1ccccc1)N3O2.
What is the InChIKey of trimethyl-[2-[(1R,5S,8S,12S)-5-(phenylmethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecan-12-yl]ethynyl]silane?
The InChIKey is AIBAXCPXYRFTIR-GSPCLOLRSA-N. The full InChI is InChI=1S/C23H33NO2Si/c1-27(2,3)16-13-21-22-12-8-15-23(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-[(1R,5S,8S,12S)-5-(phenylmethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecan-12-yl]ethynyl]silane?
trimethyl-[2-[(1R,5S,8S,12S)-5-(phenylmethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecan-12-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-[(1R,5S,8S,12S)-5-(phenylmethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecan-12-yl]ethynyl]silane is sourced from PubChem (CID 71483629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).