tert-butyl-[[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-3-methoxy-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]methoxy]-diphenylsilane

C77H104O11Si2 — CID 11320815

IUPACtert-butyl-[[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-3-methoxy-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]methoxy]-diphenylsilane
SMILESCO[C@]12C[C@H]3O[C@H]4C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@](C)(CO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)O[C@@H]4C[C@H](C)C[C@@H]3O[C@@H]1[C@@H](C)[C@H](OCc1ccc3ccccc3c1)[C@@H]1O[C@]3(C[C@H](OCc4ccc5ccccc5c4)CO3)[C@@H](C)[C@H](C)[C@H]1O2
InChIInChI=1S/C77H104O11Si2/c1-49(2)89(50(3)4,51(5)6)88-69-42-66-67(85-75(69,14)48-82-90(74(11,12)13,63-30-18-16-19-31-63)64-32-20-17-21-33-64)39-52(7)38-65-68(83-66)44-77(78-15)73(84-65)54(9)70(80-46-57-35-37-59-27-23-25-29-61(59)41-57)72-71(86-77)53(8)55(10)76(87-72)43-62(47-81-76)79-45-56-34-36-58-26-22-24-28-60(58)40-56/h16-37,40-41,49-55,62,65-73H,38-39,42-48H2,1-15H3/t52-,53+,54+,55+,62+,65+,66+,67-,68-,69-,70+,71-,72+,73-,75+,76-,77+/m1/s1
InChIKeyNJVCCWYFUCODOV-LOGXDAMKSA-N
MW1261.84 g/mol
LogP15.65
Rot. Bonds17

About tert-butyl-[[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-3-methoxy-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]methoxy]-diphenylsilane

tert-butyl-[[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-3-methoxy-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]methoxy]-diphenylsilane (PubChem CID 11320815) has the molecular formula C77H104O11Si2 and a molecular weight of 1261.84 g/mol. Its IUPAC name is tert-butyl-[[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-3-methoxy-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-3-methoxy-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]methoxy]-diphenylsilane
PubChem CID11320815
Molecular FormulaC77H104O11Si2
Molecular Weight1261.84 g/mol
Exact Mass1260.71
IUPAC Nametert-butyl-[[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-3-methoxy-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]methoxy]-diphenylsilane
SMILESCO[C@]12C[C@H]3O[C@H]4C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@](C)(CO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)O[C@@H]4C[C@H](C)C[C@@H]3O[C@@H]1[C@@H](C)[C@H](OCc1ccc3ccccc3c1)[C@@H]1O[C@]3(C[C@H](OCc4ccc5ccccc5c4)CO3)[C@@H](C)[C@H](C)[C@H]1O2
InChIInChI=1S/C77H104O11Si2/c1-49(2)89(50(3)4,51(5)6)88-69-42-66-67(85-75(69,14)48-82-90(74(11,12)13,63-30-18-16-19-31-63)64-32-20-17-21-33-64)39-52(7)38-65-68(83-66)44-77(78-15)73(84-65)54(9)70(80-46-57-35-37-59-27-23-25-29-61(59)41-57)72-71(86-77)53(8)55(10)76(87-72)43-62(47-81-76)79-45-56-34-36-58-26-22-24-28-60(58)40-56/h16-37,40-41,49-55,62,65-73H,38-39,42-48H2,1-15H3/t52-,53+,54+,55+,62+,65+,66+,67-,68-,69-,70+,71-,72+,73-,75+,76-,77+/m1/s1
InChIKeyNJVCCWYFUCODOV-LOGXDAMKSA-N
XLogP15.65
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001261.84
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-3-methoxy-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]methoxy]-diphenylsilane with MolForge

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Related Compounds

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3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-6-methyl-4-tri(propan-2-yl)silyloxy-1,4,5,6,7,7a-hexahydroinden-3a-yl]propan-1-amine
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1-[(1R,3S,4'S,5R,6S,8R,9S,10S,11S,13R,14S,15S)-10-hydroxy-9,14,15-trimethyl-4',5-bis(phenylmethoxy)spiro[2,7,12-trioxatricyclo[9.4.0.03,8]pentadecane-13,2'-oxolane]-6-yl]propan-2-one
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-3-methoxy-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-3-methoxy-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]methoxy]-diphenylsilane (CID 11320815) is tert-butyl-[[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-3-methoxy-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-3-methoxy-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-3-methoxy-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]methoxy]-diphenylsilane is CO[C@]12C[C@H]3O[C@H]4C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@](C)(CO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)O[C@@H]4C[C@H](C)C[C@@H]3O[C@@H]1[C@@H](C)[C@H](OCc1ccc3ccccc3c1)[C@@H]1O[C@]3(C[C@H](OCc4ccc5ccccc5c4)CO3)[C@@H](C)[C@H](C)[C@H]1O2.
What is the InChIKey of tert-butyl-[[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-3-methoxy-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]methoxy]-diphenylsilane?
The InChIKey is NJVCCWYFUCODOV-LOGXDAMKSA-N. The full InChI is InChI=1S/C77H104O11Si2/c1-49(2)89(50(3)4,51(5)6)88-69-42-66-67(85-75(69,14)48-82-90(74(11,12)13,63-30-18-16-19-31-63)64-32-20-17-21-33-64)39-52(7)38-65-68(83-66)44-77(78-15)73(84-65)54(9)70(80-46-57-35-37-59-27-23-25-29-61(59)41-57)72-71(86-77)53(8)55(10)76(87-72)43-62(47-81-76)79-45-56-34-36-58-26-22-24-28-60(58)40-56/h16-37,40-41,49-55,62,65-73H,38-39,42-48H2,1-15H3/t52-,53+,54+,55+,62+,65+,66+,67-,68-,69-,70+,71-,72+,73-,75+,76-,77+/m1/s1.
What are the key properties of tert-butyl-[[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-3-methoxy-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]methoxy]-diphenylsilane?
tert-butyl-[[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-3-methoxy-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]methoxy]-diphenylsilane has a molecular weight of 1261.84 g/mol, XLogP of 15.65, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-3-methoxy-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 11320815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).