tert-butyl-[3-[(1S,3R,8S,10R,12R,13S,15R,17R)-13-[tert-butyl(dimethyl)silyl]oxy-6,6,12-trimethyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-15-yl]propoxy]-diphenylsilane

C41H64O7Si2 — CID 10930598

IUPACtert-butyl-[3-[(1S,3R,8S,10R,12R,13S,15R,17R)-13-[tert-butyl(dimethyl)silyl]oxy-6,6,12-trimethyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-15-yl]propoxy]-diphenylsilane
SMILESCC1(C)OC[C@H]2O[C@H]3C[C@H]4O[C@H](CCCO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@]4(C)O[C@@H]3C[C@@H]2O1
InChIInChI=1S/C41H64O7Si2/c1-38(2,3)49(10,11)48-37-25-29(44-36-27-32-33(47-41(36,37)9)26-34-35(45-32)28-42-40(7,8)46-34)19-18-24-43-50(39(4,5)6,30-20-14-12-15-21-30)31-22-16-13-17-23-31/h12-17,20-23,29,32-37H,18-19,24-28H2,1-11H3/t29-,32+,33-,34+,35-,36-,37+,41-/m1/s1
InChIKeyYFEGYDLZSUPMLN-GAJAPEEPSA-N
MW725.13 g/mol
LogP7.75
Rot. Bonds9

About tert-butyl-[3-[(1S,3R,8S,10R,12R,13S,15R,17R)-13-[tert-butyl(dimethyl)silyl]oxy-6,6,12-trimethyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-15-yl]propoxy]-diphenylsilane

tert-butyl-[3-[(1S,3R,8S,10R,12R,13S,15R,17R)-13-[tert-butyl(dimethyl)silyl]oxy-6,6,12-trimethyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-15-yl]propoxy]-diphenylsilane (PubChem CID 10930598) has the molecular formula C41H64O7Si2 and a molecular weight of 725.13 g/mol. Its IUPAC name is tert-butyl-[3-[(1S,3R,8S,10R,12R,13S,15R,17R)-13-[tert-butyl(dimethyl)silyl]oxy-6,6,12-trimethyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-15-yl]propoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[(1S,3R,8S,10R,12R,13S,15R,17R)-13-[tert-butyl(dimethyl)silyl]oxy-6,6,12-trimethyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-15-yl]propoxy]-diphenylsilane
PubChem CID10930598
Molecular FormulaC41H64O7Si2
Molecular Weight725.13 g/mol
Exact Mass724.42
IUPAC Nametert-butyl-[3-[(1S,3R,8S,10R,12R,13S,15R,17R)-13-[tert-butyl(dimethyl)silyl]oxy-6,6,12-trimethyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-15-yl]propoxy]-diphenylsilane
SMILESCC1(C)OC[C@H]2O[C@H]3C[C@H]4O[C@H](CCCO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@]4(C)O[C@@H]3C[C@@H]2O1
InChIInChI=1S/C41H64O7Si2/c1-38(2,3)49(10,11)48-37-25-29(44-36-27-32-33(47-41(36,37)9)26-34-35(45-32)28-42-40(7,8)46-34)19-18-24-43-50(39(4,5)6,30-20-14-12-15-21-30)31-22-16-13-17-23-31/h12-17,20-23,29,32-37H,18-19,24-28H2,1-11H3/t29-,32+,33-,34+,35-,36-,37+,41-/m1/s1
InChIKeyYFEGYDLZSUPMLN-GAJAPEEPSA-N
XLogP7.75
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.13
LogP ≤ 57.75
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 tert-butyl-[3-[(1S,3R,8S,10R,12R,13S,15R,17R)-13-[tert-butyl(dimethyl)silyl]oxy-6,6,12-trimethyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-15-yl]propoxy]-diphenylsilane with MolForge

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Related Compounds

tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 10321645
tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 11134205
tert-butyl-[(4R)-4-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]pentoxy]-diphenylsilane
CID 10054152
tert-butyl-[2-[[(1R,3R,4S,6R,8R,10S,12R,13S)-4-[tert-butyl(dimethyl)silyl]oxy-12-ethenyl-13-[[(1S,3R,5S,7R,12S,14R,16S,18R,19R,21S,23R,25S,26R,28S,30R)-5,8,18,25,28,30-hexamethyl-25-prop-2-enyl-2,6,11,15,20,24,29-heptaoxaheptacyclo[17.13.0.03,16.05,14.07,12.021,30.023,28]dotriacont-8-en-26-yl]oxy]-3-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]methyl]prop-2-enoxy]-diphenylsilane
CID 11468975
3-[(2R,3S,6S,8S)-8-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol
CID 11555801
[(2R,4R,6R)-2-[2-[(1S,2S,8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-methoxyoxan-4-yl]oxy-tert-butyl-diphenylsilane
CID 13818336
[6-(6-Allyl-4-methoxymethoxy-tetrahydro-pyran-2-yl)-3-methoxy-5-methyl-1-propyl-hexyloxy]-tert-butyl-diphenyl-silane
CID 46844933
(2R,4R,5S,6R,8R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8-methyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol
CID 101393377
(2R,4R,5S,6R,8S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8-methyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol
CID 101393378
tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propoxy]-diphenylsilane
CID 102202168
2-[(4aS,5S,7R,8aR)-4a-methyl-7-prop-2-enyl-5,7,8,8a-tetrahydro-4H-pyrano[4,3-d][1,3]dioxin-5-yl]ethoxy-tert-butyl-diphenylsilane
CID 102573401
((((4R,4aS,4'S,4'aS,8R,8aR,8'R,8'aR)-2,2,2',2',6,6,6',6'-octamethyloctahydro-[4,4'-bi[1,3]dioxino[5,4-d][1,3]dioxine]-8,8'-diyl)bis(methylene))bis(oxy))bis(tert-butyldiphenylsilane)
CID 122173444

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[(1S,3R,8S,10R,12R,13S,15R,17R)-13-[tert-butyl(dimethyl)silyl]oxy-6,6,12-trimethyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-15-yl]propoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[3-[(1S,3R,8S,10R,12R,13S,15R,17R)-13-[tert-butyl(dimethyl)silyl]oxy-6,6,12-trimethyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-15-yl]propoxy]-diphenylsilane (CID 10930598) is tert-butyl-[3-[(1S,3R,8S,10R,12R,13S,15R,17R)-13-[tert-butyl(dimethyl)silyl]oxy-6,6,12-trimethyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-15-yl]propoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[3-[(1S,3R,8S,10R,12R,13S,15R,17R)-13-[tert-butyl(dimethyl)silyl]oxy-6,6,12-trimethyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-15-yl]propoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[3-[(1S,3R,8S,10R,12R,13S,15R,17R)-13-[tert-butyl(dimethyl)silyl]oxy-6,6,12-trimethyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-15-yl]propoxy]-diphenylsilane is CC1(C)OC[C@H]2O[C@H]3C[C@H]4O[C@H](CCCO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@]4(C)O[C@@H]3C[C@@H]2O1.
What is the InChIKey of tert-butyl-[3-[(1S,3R,8S,10R,12R,13S,15R,17R)-13-[tert-butyl(dimethyl)silyl]oxy-6,6,12-trimethyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-15-yl]propoxy]-diphenylsilane?
The InChIKey is YFEGYDLZSUPMLN-GAJAPEEPSA-N. The full InChI is InChI=1S/C41H64O7Si2/c1-38(2,3)49(10,11)48-37-25-29(44-36-27-32-33(47-41(36,37)9)26-34-35(45-32)28-42-40(7,8)46-34)19-18-24-43-50(39(4,5)6,30-20-14-12-15-21-30)31-22-16-13-17-23-31/h12-17,20-23,29,32-37H,18-19,24-28H2,1-11H3/t29-,32+,33-,34+,35-,36-,37+,41-/m1/s1.
What are the key properties of tert-butyl-[3-[(1S,3R,8S,10R,12R,13S,15R,17R)-13-[tert-butyl(dimethyl)silyl]oxy-6,6,12-trimethyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-15-yl]propoxy]-diphenylsilane?
tert-butyl-[3-[(1S,3R,8S,10R,12R,13S,15R,17R)-13-[tert-butyl(dimethyl)silyl]oxy-6,6,12-trimethyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-15-yl]propoxy]-diphenylsilane has a molecular weight of 725.13 g/mol, XLogP of 7.75, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[(1S,3R,8S,10R,12R,13S,15R,17R)-13-[tert-butyl(dimethyl)silyl]oxy-6,6,12-trimethyl-2,5,7,11,16-pentaoxatetracyclo[8.8.0.03,8.012,17]octadecan-15-yl]propoxy]-diphenylsilane is sourced from PubChem (CID 10930598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).