tri(propan-2-yl)-[[(1R,3R,4S,5R,6S,8R,10S,12R,13S)-1,5,12-trimethyl-4,13-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]methoxy]silane

C48H70O7Si — CID 51051295

IUPACtri(propan-2-yl)-[[(1R,3R,4S,5R,6S,8R,10S,12R,13S)-1,5,12-trimethyl-4,13-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]methoxy]silane
SMILESCC(C)[Si](OC[C@@]1(C)O[C@H]2C[C@H]3O[C@@H](CCOCc4ccccc4)[C@@H](C)[C@H](OCc4ccccc4)[C@@H]3O[C@]2(C)CC[C@@H]1OCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C48H70O7Si/c1-34(2)56(35(3)4,36(5)6)52-33-48(9)43(50-31-39-21-15-11-16-22-39)25-27-47(8)44(54-48)29-42-46(55-47)45(51-32-40-23-17-12-18-24-40)37(7)41(53-42)26-28-49-30-38-19-13-10-14-20-38/h10-24,34-37,41-46H,25-33H2,1-9H3/t37-,41+,42-,43+,44+,45+,46-,47-,48-/m1/s1
InChIKeyZURNRTJAFXRYBA-PHOFWDFSSA-N
MW787.17 g/mol
LogP10.85
Rot. Bonds17

About tri(propan-2-yl)-[[(1R,3R,4S,5R,6S,8R,10S,12R,13S)-1,5,12-trimethyl-4,13-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]methoxy]silane

tri(propan-2-yl)-[[(1R,3R,4S,5R,6S,8R,10S,12R,13S)-1,5,12-trimethyl-4,13-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]methoxy]silane (PubChem CID 51051295) has the molecular formula C48H70O7Si and a molecular weight of 787.17 g/mol. Its IUPAC name is tri(propan-2-yl)-[[(1R,3R,4S,5R,6S,8R,10S,12R,13S)-1,5,12-trimethyl-4,13-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]methoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[[(1R,3R,4S,5R,6S,8R,10S,12R,13S)-1,5,12-trimethyl-4,13-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]methoxy]silane
PubChem CID51051295
Molecular FormulaC48H70O7Si
Molecular Weight787.17 g/mol
Exact Mass786.49
IUPAC Nametri(propan-2-yl)-[[(1R,3R,4S,5R,6S,8R,10S,12R,13S)-1,5,12-trimethyl-4,13-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]methoxy]silane
SMILESCC(C)[Si](OC[C@@]1(C)O[C@H]2C[C@H]3O[C@@H](CCOCc4ccccc4)[C@@H](C)[C@H](OCc4ccccc4)[C@@H]3O[C@]2(C)CC[C@@H]1OCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C48H70O7Si/c1-34(2)56(35(3)4,36(5)6)52-33-48(9)43(50-31-39-21-15-11-16-22-39)25-27-47(8)44(54-48)29-42-46(55-47)45(51-32-40-23-17-12-18-24-40)37(7)41(53-42)26-28-49-30-38-19-13-10-14-20-38/h10-24,34-37,41-46H,25-33H2,1-9H3/t37-,41+,42-,43+,44+,45+,46-,47-,48-/m1/s1
InChIKeyZURNRTJAFXRYBA-PHOFWDFSSA-N
XLogP10.85
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.17
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tri(propan-2-yl)-[[(1R,3R,4S,5R,6S,8R,10S,12R,13S)-1,5,12-trimethyl-4,13-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]methoxy]silane with MolForge

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Related Compounds

(4S)-4-[(2R,3S,4aR,6S,7R,9aS)-2,9a-dimethyl-3-phenylmethoxy-7-triethylsilyloxy-2,3,4,4a,6,7,8,9-octahydropyrano[3,2-b]oxepin-6-yl]-4-hydroxy-1-[(1R,3R,4S,5R,6S,8R,10S,12R,13S)-1,5,12-trimethyl-4,13-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]butan-2-one
CID 51051382
2-[(1R,3S,5R,6S,8R,10S,12R,13S)-12-methyl-13-phenylmethoxy-12-(2-phenylmethoxyethyl)-5-tri(propan-2-yl)silyloxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]ethanol
CID 11193188
(1S,3R,9S,12R,14S,15S,17R,19R)-12-methyl-15-phenylmethoxy-17-(3-phenylmethoxypropyl)-2,8,13,18-tetraoxatetracyclo[10.8.0.03,9.014,19]icos-6-ene
CID 10984458
(1S,3R,5S,7R,12S,14R,16S,18R,19R,21S,23R,25S,26R,28S,30R)-5,8,18,25,28,30-hexamethyl-26-phenylmethoxy-25-(2-phenylmethoxyethyl)-2,6,11,15,20,24,29-heptaoxaheptacyclo[17.13.0.03,16.05,14.07,12.021,30.023,28]dotriacont-8-en-10-one
CID 11051025
(1R,3S,4S,6R,8R,10S,12R,13S)-1-methyl-4-phenylmethoxy-6-(3-phenylmethoxypropyl)-12-prop-2-enyl-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-13-ol
CID 11006022
(2R,3S,4R,6R)-6-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-4-iodo-3-methyl-2-(2-phenylmethoxyethyl)oxane
CID 102229479
(1R,3R,6S,7R,9S,11R,13S,15S,17R,19S)-7-(hydroxymethyl)-15-(2-phenylmethoxyethyl)-19-tri(propan-2-yl)silyloxy-2,8,12,16-tetraoxatetracyclo[9.8.0.03,9.013,17]nonadecane-1,6-diol
CID 134882610
(3R,4S,5S,6R)-3,5-dimethyl-4-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-2-one
CID 134866923
[(2R,3R,4R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
CID 10885348
(1S,3R,6R,7R,9S,12R,14S,15S,17R,19R)-7-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6,12-dimethyl-15-phenylmethoxy-17-(3-phenylmethoxypropyl)-2,8,13,18-tetraoxatetracyclo[10.8.0.03,9.014,19]icosan-6-ol
CID 10795740
(1R,3S,5R,6S,8R,10S)-1,3,6-trimethyl-5-phenylmethoxy-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-one
CID 10896475
(S)-[(4aR,6R,7R,8R,8aS)-2,2,7-trimethyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-[2-[[(4S,5S,6R)-2,2,5-trimethyl-6-(4-phenylmethoxybutyl)-1,3-dioxan-4-yl]methyl]-1,3-dithian-2-yl]methanol
CID 11093856

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[[(1R,3R,4S,5R,6S,8R,10S,12R,13S)-1,5,12-trimethyl-4,13-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]methoxy]silane?
The IUPAC name of tri(propan-2-yl)-[[(1R,3R,4S,5R,6S,8R,10S,12R,13S)-1,5,12-trimethyl-4,13-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]methoxy]silane (CID 51051295) is tri(propan-2-yl)-[[(1R,3R,4S,5R,6S,8R,10S,12R,13S)-1,5,12-trimethyl-4,13-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]methoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[[(1R,3R,4S,5R,6S,8R,10S,12R,13S)-1,5,12-trimethyl-4,13-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]methoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[[(1R,3R,4S,5R,6S,8R,10S,12R,13S)-1,5,12-trimethyl-4,13-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]methoxy]silane is CC(C)[Si](OC[C@@]1(C)O[C@H]2C[C@H]3O[C@@H](CCOCc4ccccc4)[C@@H](C)[C@H](OCc4ccccc4)[C@@H]3O[C@]2(C)CC[C@@H]1OCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[[(1R,3R,4S,5R,6S,8R,10S,12R,13S)-1,5,12-trimethyl-4,13-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]methoxy]silane?
The InChIKey is ZURNRTJAFXRYBA-PHOFWDFSSA-N. The full InChI is InChI=1S/C48H70O7Si/c1-34(2)56(35(3)4,36(5)6)52-33-48(9)43(50-31-39-21-15-11-16-22-39)25-27-47(8)44(54-48)29-42-46(55-47)45(51-32-40-23-17-12-18-24-40)37(7)41(53-42)26-28-49-30-38-19-13-10-14-20-38/h10-24,34-37,41-46H,25-33H2,1-9H3/t37-,41+,42-,43+,44+,45+,46-,47-,48-/m1/s1.
What are the key properties of tri(propan-2-yl)-[[(1R,3R,4S,5R,6S,8R,10S,12R,13S)-1,5,12-trimethyl-4,13-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]methoxy]silane?
tri(propan-2-yl)-[[(1R,3R,4S,5R,6S,8R,10S,12R,13S)-1,5,12-trimethyl-4,13-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]methoxy]silane has a molecular weight of 787.17 g/mol, XLogP of 10.85, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[[(1R,3R,4S,5R,6S,8R,10S,12R,13S)-1,5,12-trimethyl-4,13-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-12-yl]methoxy]silane is sourced from PubChem (CID 51051295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).