tert-butyl-[(2S)-1-[(2S,6R)-6-[(2S,4S)-2,4-dimethylhept-6-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane;(3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-methylbutanal;ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate

C116H160O13Si3 — CID 90961113

IUPACtert-butyl-[(2S)-1-[(2S,6R)-6-[(2S,4S)-2,4-dimethylhept-6-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane;(3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-methylbutanal;ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate
SMILESC=CC[C@H](C)C[C@H](C)C[C@H]1CCC[C@@H](C[C@H](CCOCc2ccccc2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.CCOC(=O)C[C@H](O)C[C@H]1CCC[C@@H](C[C@H](CCOCc2ccccc2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.C[C@@H](CC=O)C[C@H]1CCC[C@@H](C[C@H](CCOCc2ccccc2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C41H58O3Si.C38H52O6Si.C37H50O4Si/c1-7-18-33(2)29-34(3)30-36-21-17-22-37(43-36)31-38(27-28-42-32-35-19-11-8-12-20-35)44-45(41(4,5)6,39-23-13-9-14-24-39)40-25-15-10-16-26-40;1-5-42-37(40)27-31(39)26-32-18-15-19-33(43-32)28-34(24-25-41-29-30-16-9-6-10-17-30)44-45(38(2,3)4,35-20-11-7-12-21-35)36-22-13-8-14-23-36;1-30(23-25-38)27-32-17-14-18-33(40-32)28-34(24-26-39-29-31-15-8-5-9-16-31)41-42(37(2,3)4,35-19-10-6-11-20-35)36-21-12-7-13-22-36/h7-16,19-20,23-26,33-34,36-38H,1,17-18,21-22,27-32H2,2-6H3;6-14,16-17,20-23,31-34,39H,5,15,18-19,24-29H2,1-4H3;5-13,15-16,19-22,25,30,32-34H,14,17-18,23-24,26-29H2,1-4H3/t33-,34-,36+,37-,38-;31-,32-,33+,34+;30-,32+,33-,34-/m010/s1
InChIKeyJZAVXPKFEZKMKH-YXNGUBCTSA-N
MW1846.80 g/mol
LogP23.55
Rot. Bonds48

About tert-butyl-[(2S)-1-[(2S,6R)-6-[(2S,4S)-2,4-dimethylhept-6-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane;(3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-methylbutanal;ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate

tert-butyl-[(2S)-1-[(2S,6R)-6-[(2S,4S)-2,4-dimethylhept-6-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane;(3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-methylbutanal;ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate (PubChem CID 90961113) has the molecular formula C116H160O13Si3 and a molecular weight of 1846.80 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-[(2S,6R)-6-[(2S,4S)-2,4-dimethylhept-6-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane;(3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-methylbutanal;ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate.

Molecular Properties

Compound Nametert-butyl-[(2S)-1-[(2S,6R)-6-[(2S,4S)-2,4-dimethylhept-6-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane;(3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-methylbutanal;ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate
PubChem CID90961113
Molecular FormulaC116H160O13Si3
Molecular Weight1846.80 g/mol
Exact Mass1845.12
IUPAC Nametert-butyl-[(2S)-1-[(2S,6R)-6-[(2S,4S)-2,4-dimethylhept-6-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane;(3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-methylbutanal;ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate
SMILESC=CC[C@H](C)C[C@H](C)C[C@H]1CCC[C@@H](C[C@H](CCOCc2ccccc2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.CCOC(=O)C[C@H](O)C[C@H]1CCC[C@@H](C[C@H](CCOCc2ccccc2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.C[C@@H](CC=O)C[C@H]1CCC[C@@H](C[C@H](CCOCc2ccccc2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C41H58O3Si.C38H52O6Si.C37H50O4Si/c1-7-18-33(2)29-34(3)30-36-21-17-22-37(43-36)31-38(27-28-42-32-35-19-11-8-12-20-35)44-45(41(4,5)6,39-23-13-9-14-24-39)40-25-15-10-16-26-40;1-5-42-37(40)27-31(39)26-32-18-15-19-33(43-32)28-34(24-25-41-29-30-16-9-6-10-17-30)44-45(38(2,3)4,35-20-11-7-12-21-35)36-22-13-8-14-23-36;1-30(23-25-38)27-32-17-14-18-33(40-32)28-34(24-26-39-29-31-15-8-5-9-16-31)41-42(37(2,3)4,35-19-10-6-11-20-35)36-21-12-7-13-22-36/h7-16,19-20,23-26,33-34,36-38H,1,17-18,21-22,27-32H2,2-6H3;6-14,16-17,20-23,31-34,39H,5,15,18-19,24-29H2,1-4H3;5-13,15-16,19-22,25,30,32-34H,14,17-18,23-24,26-29H2,1-4H3/t33-,34-,36+,37-,38-;31-,32-,33+,34+;30-,32+,33-,34-/m010/s1
InChIKeyJZAVXPKFEZKMKH-YXNGUBCTSA-N
XLogP23.55
TPSA146.67 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds48
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001846.80
LogP ≤ 523.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2S)-1-[(2S,6R)-6-[(2S,4S)-2,4-dimethylhept-6-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane;(3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-methylbutanal;ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-[(2R,6S)-6-[(2S)-2-methyl-3-phenylmethoxypropyl]oxan-2-yl]pent-4-en-2-ol
CID 134833558
tert-butyl-[(2S)-1-[(2S,6S)-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane
CID 57327163
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate
CID 11222352
prop-2-enyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-oxohexanoate
CID 14669635
methyl 2-[(2R,6S)-6-[(2S,4R,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-7-methyl-8-oxooctyl]oxan-2-yl]acetate
CID 122377861
methyl 2-[(2R,6S)-6-[(2R,4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-7-methyl-6-triethylsilyloxynon-8-enyl]oxan-2-yl]acetate
CID 132539539
(3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal
CID 11168008
ethyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 11978887
tert-butyl-diphenyl-[(2S,4R)-1-[(4S)-2-phenyl-1,3-dioxan-4-yl]-4-phenylmethoxypentan-2-yl]oxysilane
CID 134841074
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
[(4R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-8-oxooct-1-en-4-yl] prop-2-enoate
CID 11576022
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane
CID 134833176

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-1-[(2S,6R)-6-[(2S,4S)-2,4-dimethylhept-6-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane;(3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-methylbutanal;ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate?
The IUPAC name of tert-butyl-[(2S)-1-[(2S,6R)-6-[(2S,4S)-2,4-dimethylhept-6-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane;(3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-methylbutanal;ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate (CID 90961113) is tert-butyl-[(2S)-1-[(2S,6R)-6-[(2S,4S)-2,4-dimethylhept-6-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane;(3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-methylbutanal;ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate.
What is the SMILES notation for tert-butyl-[(2S)-1-[(2S,6R)-6-[(2S,4S)-2,4-dimethylhept-6-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane;(3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-methylbutanal;ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate?
The canonical SMILES for tert-butyl-[(2S)-1-[(2S,6R)-6-[(2S,4S)-2,4-dimethylhept-6-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane;(3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-methylbutanal;ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate is C=CC[C@H](C)C[C@H](C)C[C@H]1CCC[C@@H](C[C@H](CCOCc2ccccc2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.CCOC(=O)C[C@H](O)C[C@H]1CCC[C@@H](C[C@H](CCOCc2ccccc2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.C[C@@H](CC=O)C[C@H]1CCC[C@@H](C[C@H](CCOCc2ccccc2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[(2S)-1-[(2S,6R)-6-[(2S,4S)-2,4-dimethylhept-6-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane;(3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-methylbutanal;ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate?
The InChIKey is JZAVXPKFEZKMKH-YXNGUBCTSA-N. The full InChI is InChI=1S/C41H58O3Si.C38H52O6Si.C37H50O4Si/c1-7-18-33(2)29-34(3)30-36-21-17-22-37(43-36)31-38(27-28-42-32-35-19-11-8-12-20-35)44-45(41(4,5)6,39-23-13-9-14-24-39)40-25-15-10-16-26-40;1-5-42-37(40)27-31(39)26-32-18-15-19-33(43-32)28-34(24-25-41-29-30-16-9-6-10-17-30)44-45(38(2,3)4,35-20-11-7-12-21-35)36-22-13-8-14-23-36;1-30(23-25-38)27-32-17-14-18-33(40-32)28-34(24-26-39-29-31-15-8-5-9-16-31)41-42(37(2,3)4,35-19-10-6-11-20-35)36-21-12-7-13-22-36/h7-16,19-20,23-26,33-34,36-38H,1,17-18,21-22,27-32H2,2-6H3;6-14,16-17,20-23,31-34,39H,5,15,18-19,24-29H2,1-4H3;5-13,15-16,19-22,25,30,32-34H,14,17-18,23-24,26-29H2,1-4H3/t33-,34-,36+,37-,38-;31-,32-,33+,34+;30-,32+,33-,34-/m010/s1.
What are the key properties of tert-butyl-[(2S)-1-[(2S,6R)-6-[(2S,4S)-2,4-dimethylhept-6-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane;(3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-methylbutanal;ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate?
tert-butyl-[(2S)-1-[(2S,6R)-6-[(2S,4S)-2,4-dimethylhept-6-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane;(3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-methylbutanal;ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate has a molecular weight of 1846.80 g/mol, XLogP of 23.55, 48 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-1-[(2S,6R)-6-[(2S,4S)-2,4-dimethylhept-6-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane;(3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-methylbutanal;ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate is sourced from PubChem (CID 90961113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).