3-[(2S)-3-[4-[[(2R)-3-[4-[[(2R)-3-[4-[[(2R)-3-bromo-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane

C45H72BrN9O8Si — CID 140741537

IUPAC3-[(2S)-3-[4-[[(2R)-3-[4-[[(2R)-3-[4-[[(2R)-3-bromo-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane
SMILESC=CCO[C@H](COCC#C[Si](C(C)C)(C(C)C)C(C)C)Cn1cc(COC[C@@H](Cn2cc(COC[C@@H](Cn3cc(COC[C@H](CBr)OCC=C)nn3)OCC=C)nn2)OCC=C)nn1
InChIInChI=1S/C45H72BrN9O8Si/c1-11-16-60-42(22-46)32-57-29-39-23-54(51-47-39)27-44(62-18-13-3)34-59-31-41-25-55(52-49-41)28-45(63-19-14-4)35-58-30-40-24-53(50-48-40)26-43(61-17-12-2)33-56-20-15-21-64(36(5)6,37(7)8)38(9)10/h11-14,23-25,36-38,42-45H,1-4,16-20,22,26-35H2,5-10H3/t42-,43-,44+,45+/m0/s1
InChIKeyULYLGXMADVAPTR-XIPUPUFSSA-N
MW975.12 g/mol
LogP6.33
Rot. Bonds37

About 3-[(2S)-3-[4-[[(2R)-3-[4-[[(2R)-3-[4-[[(2R)-3-bromo-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane

3-[(2S)-3-[4-[[(2R)-3-[4-[[(2R)-3-[4-[[(2R)-3-bromo-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane (PubChem CID 140741537) has the molecular formula C45H72BrN9O8Si and a molecular weight of 975.12 g/mol. Its IUPAC name is 3-[(2S)-3-[4-[[(2R)-3-[4-[[(2R)-3-[4-[[(2R)-3-bromo-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-[(2S)-3-[4-[[(2R)-3-[4-[[(2R)-3-[4-[[(2R)-3-bromo-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane
PubChem CID140741537
Molecular FormulaC45H72BrN9O8Si
Molecular Weight975.12 g/mol
Exact Mass973.45
IUPAC Name3-[(2S)-3-[4-[[(2R)-3-[4-[[(2R)-3-[4-[[(2R)-3-bromo-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane
SMILESC=CCO[C@H](COCC#C[Si](C(C)C)(C(C)C)C(C)C)Cn1cc(COC[C@@H](Cn2cc(COC[C@@H](Cn3cc(COC[C@H](CBr)OCC=C)nn3)OCC=C)nn2)OCC=C)nn1
InChIInChI=1S/C45H72BrN9O8Si/c1-11-16-60-42(22-46)32-57-29-39-23-54(51-47-39)27-44(62-18-13-3)34-59-31-41-25-55(52-49-41)28-45(63-19-14-4)35-58-30-40-24-53(50-48-40)26-43(61-17-12-2)33-56-20-15-21-64(36(5)6,37(7)8)38(9)10/h11-14,23-25,36-38,42-45H,1-4,16-20,22,26-35H2,5-10H3/t42-,43-,44+,45+/m0/s1
InChIKeyULYLGXMADVAPTR-XIPUPUFSSA-N
XLogP6.33
TPSA165.97 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds37
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500975.12
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[(2S)-3-[4-[[(2R)-3-[4-[[(2R)-3-[4-[[(2R)-3-bromo-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-3-[4-[[(2R)-3-[4-[[(2R)-3-[4-[[(2R)-3-bromo-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 3-[(2S)-3-[4-[[(2R)-3-[4-[[(2R)-3-[4-[[(2R)-3-bromo-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane (CID 140741537) is 3-[(2S)-3-[4-[[(2R)-3-[4-[[(2R)-3-[4-[[(2R)-3-bromo-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 3-[(2S)-3-[4-[[(2R)-3-[4-[[(2R)-3-[4-[[(2R)-3-bromo-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 3-[(2S)-3-[4-[[(2R)-3-[4-[[(2R)-3-[4-[[(2R)-3-bromo-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane is C=CCO[C@H](COCC#C[Si](C(C)C)(C(C)C)C(C)C)Cn1cc(COC[C@@H](Cn2cc(COC[C@@H](Cn3cc(COC[C@H](CBr)OCC=C)nn3)OCC=C)nn2)OCC=C)nn1.
What is the InChIKey of 3-[(2S)-3-[4-[[(2R)-3-[4-[[(2R)-3-[4-[[(2R)-3-bromo-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is ULYLGXMADVAPTR-XIPUPUFSSA-N. The full InChI is InChI=1S/C45H72BrN9O8Si/c1-11-16-60-42(22-46)32-57-29-39-23-54(51-47-39)27-44(62-18-13-3)34-59-31-41-25-55(52-49-41)28-45(63-19-14-4)35-58-30-40-24-53(50-48-40)26-43(61-17-12-2)33-56-20-15-21-64(36(5)6,37(7)8)38(9)10/h11-14,23-25,36-38,42-45H,1-4,16-20,22,26-35H2,5-10H3/t42-,43-,44+,45+/m0/s1.
What are the key properties of 3-[(2S)-3-[4-[[(2R)-3-[4-[[(2R)-3-[4-[[(2R)-3-bromo-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane?
3-[(2S)-3-[4-[[(2R)-3-[4-[[(2R)-3-[4-[[(2R)-3-bromo-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 975.12 g/mol, XLogP of 6.33, 37 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-3-[4-[[(2R)-3-[4-[[(2R)-3-[4-[[(2R)-3-bromo-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]methyl]triazol-1-yl]-2-prop-2-enoxypropoxy]prop-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 140741537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).