tert-butyl-[(3R,4R,5S,6S)-2-(1,3-dithian-2-yl)-2,4,6,10-tetramethyl-3-triphenylsilyloxyundec-10-en-5-yl]oxy-dimethylsilane

C43H64O2S2Si2 — CID 10974640

IUPACtert-butyl-[(3R,4R,5S,6S)-2-(1,3-dithian-2-yl)-2,4,6,10-tetramethyl-3-triphenylsilyloxyundec-10-en-5-yl]oxy-dimethylsilane
SMILESC=C(C)CCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C1SCCCS1
InChIInChI=1S/C43H64O2S2Si2/c1-33(2)23-21-24-34(3)39(44-48(10,11)42(5,6)7)35(4)40(43(8,9)41-46-31-22-32-47-41)45-49(36-25-15-12-16-26-36,37-27-17-13-18-28-37)38-29-19-14-20-30-38/h12-20,25-30,34-35,39-41H,1,21-24,31-32H2,2-11H3/t34-,35+,39-,40+/m0/s1
InChIKeyGYMWOYSPNJFQEE-XZFVVDAASA-N
MW733.29 g/mol
LogP10.67
Rot. Bonds16

About tert-butyl-[(3R,4R,5S,6S)-2-(1,3-dithian-2-yl)-2,4,6,10-tetramethyl-3-triphenylsilyloxyundec-10-en-5-yl]oxy-dimethylsilane

tert-butyl-[(3R,4R,5S,6S)-2-(1,3-dithian-2-yl)-2,4,6,10-tetramethyl-3-triphenylsilyloxyundec-10-en-5-yl]oxy-dimethylsilane (PubChem CID 10974640) has the molecular formula C43H64O2S2Si2 and a molecular weight of 733.29 g/mol. Its IUPAC name is tert-butyl-[(3R,4R,5S,6S)-2-(1,3-dithian-2-yl)-2,4,6,10-tetramethyl-3-triphenylsilyloxyundec-10-en-5-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,4R,5S,6S)-2-(1,3-dithian-2-yl)-2,4,6,10-tetramethyl-3-triphenylsilyloxyundec-10-en-5-yl]oxy-dimethylsilane
PubChem CID10974640
Molecular FormulaC43H64O2S2Si2
Molecular Weight733.29 g/mol
Exact Mass732.39
IUPAC Nametert-butyl-[(3R,4R,5S,6S)-2-(1,3-dithian-2-yl)-2,4,6,10-tetramethyl-3-triphenylsilyloxyundec-10-en-5-yl]oxy-dimethylsilane
SMILESC=C(C)CCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C1SCCCS1
InChIInChI=1S/C43H64O2S2Si2/c1-33(2)23-21-24-34(3)39(44-48(10,11)42(5,6)7)35(4)40(43(8,9)41-46-31-22-32-47-41)45-49(36-25-15-12-16-26-36,37-27-17-13-18-28-37)38-29-19-14-20-30-38/h12-20,25-30,34-35,39-41H,1,21-24,31-32H2,2-11H3/t34-,35+,39-,40+/m0/s1
InChIKeyGYMWOYSPNJFQEE-XZFVVDAASA-N
XLogP10.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.29
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2,2-Bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane
CID 10719457
tert-butyl-[(1R,2R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[2-(1,3-dithian-2-yl)propan-2-yl]-2,4-dimethylnon-8-enoxy]-diphenylsilane
CID 134875180
tert-butyl-[2-[(4R,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)-3-methylbutyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 134878049
tert-butyl-[2-[(2S,3S,6R)-3-methyl-6-[[2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane
CID 134936241
tert-butyl-[(2S)-2-[(2R,5S,6R)-5-methyl-6-phenylsulfanyloxan-2-yl]butoxy]-diphenylsilane
CID 134969240
tert-butyl-[(2R,4R)-4,6-dimethyl-1-tritylsulfanylheptan-2-yl]oxy-dimethylsilane
CID 57140908
tert-butyl-dimethyl-[(2S,4R)-4-methyl-1-tritylsulfanylundecan-2-yl]oxysilane
CID 57186823
tert-butyl-[(2S,4R)-4,6-dimethyl-1-tritylsulfanylheptan-2-yl]oxy-dimethylsilane
CID 57190581
tert-butyl-dimethyl-[(2R,4R)-4-methyl-1-tritylsulfanylundecan-2-yl]oxysilane
CID 57286001
Tert-butyl-diphenyl-[5-[2-(4-phenylphenyl)-1,3-dithian-2-yl]pentoxy]silane
CID 57801060
[1-[(1S,2S)-2-(1-diphenylsilyloxy-2,2-dimethylpropyl)-3,3-bis(methylsulfanyl)cyclobutyl]-2,2-dimethylpropoxy]-diphenylsilane
CID 123868698
[1-[(1R,2R)-2-(1-diphenylsilyloxy-2,2-dimethylpropyl)-3,3-bis(methylsulfanyl)cyclobutyl]-2,2-dimethylpropoxy]-diphenylsilane
CID 123967972

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,4R,5S,6S)-2-(1,3-dithian-2-yl)-2,4,6,10-tetramethyl-3-triphenylsilyloxyundec-10-en-5-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,4R,5S,6S)-2-(1,3-dithian-2-yl)-2,4,6,10-tetramethyl-3-triphenylsilyloxyundec-10-en-5-yl]oxy-dimethylsilane (CID 10974640) is tert-butyl-[(3R,4R,5S,6S)-2-(1,3-dithian-2-yl)-2,4,6,10-tetramethyl-3-triphenylsilyloxyundec-10-en-5-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,4R,5S,6S)-2-(1,3-dithian-2-yl)-2,4,6,10-tetramethyl-3-triphenylsilyloxyundec-10-en-5-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,4R,5S,6S)-2-(1,3-dithian-2-yl)-2,4,6,10-tetramethyl-3-triphenylsilyloxyundec-10-en-5-yl]oxy-dimethylsilane is C=C(C)CCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C1SCCCS1.
What is the InChIKey of tert-butyl-[(3R,4R,5S,6S)-2-(1,3-dithian-2-yl)-2,4,6,10-tetramethyl-3-triphenylsilyloxyundec-10-en-5-yl]oxy-dimethylsilane?
The InChIKey is GYMWOYSPNJFQEE-XZFVVDAASA-N. The full InChI is InChI=1S/C43H64O2S2Si2/c1-33(2)23-21-24-34(3)39(44-48(10,11)42(5,6)7)35(4)40(43(8,9)41-46-31-22-32-47-41)45-49(36-25-15-12-16-26-36,37-27-17-13-18-28-37)38-29-19-14-20-30-38/h12-20,25-30,34-35,39-41H,1,21-24,31-32H2,2-11H3/t34-,35+,39-,40+/m0/s1.
What are the key properties of tert-butyl-[(3R,4R,5S,6S)-2-(1,3-dithian-2-yl)-2,4,6,10-tetramethyl-3-triphenylsilyloxyundec-10-en-5-yl]oxy-dimethylsilane?
tert-butyl-[(3R,4R,5S,6S)-2-(1,3-dithian-2-yl)-2,4,6,10-tetramethyl-3-triphenylsilyloxyundec-10-en-5-yl]oxy-dimethylsilane has a molecular weight of 733.29 g/mol, XLogP of 10.67, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,4R,5S,6S)-2-(1,3-dithian-2-yl)-2,4,6,10-tetramethyl-3-triphenylsilyloxyundec-10-en-5-yl]oxy-dimethylsilane is sourced from PubChem (CID 10974640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).