tert-butyl-[(S)-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazolidin-2-yl)methoxy]-diphenylsilane

C31H45NO5SSi — CID 10555101

IUPACtert-butyl-[(S)-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazolidin-2-yl)methoxy]-diphenylsilane
SMILESCN1CCSC1[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C31H45NO5SSi/c1-29(2,3)39(22-15-11-9-12-16-22,23-17-13-10-14-18-23)37-27(28-32(8)19-20-38-28)26-25(35-31(6,7)36-26)24-21-33-30(4,5)34-24/h9-18,24-28H,19-21H2,1-8H3/t24-,25+,26-,27-,28?/m0/s1
InChIKeyUERQZWFCUYHDNO-KINFFZBNSA-N
MW571.86 g/mol
LogP4.61
Rot. Bonds7

About tert-butyl-[(S)-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazolidin-2-yl)methoxy]-diphenylsilane

tert-butyl-[(S)-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazolidin-2-yl)methoxy]-diphenylsilane (PubChem CID 10555101) has the molecular formula C31H45NO5SSi and a molecular weight of 571.86 g/mol. Its IUPAC name is tert-butyl-[(S)-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazolidin-2-yl)methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(S)-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazolidin-2-yl)methoxy]-diphenylsilane
PubChem CID10555101
Molecular FormulaC31H45NO5SSi
Molecular Weight571.86 g/mol
Exact Mass571.28
IUPAC Nametert-butyl-[(S)-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazolidin-2-yl)methoxy]-diphenylsilane
SMILESCN1CCSC1[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C31H45NO5SSi/c1-29(2,3)39(22-15-11-9-12-16-22,23-17-13-10-14-18-23)37-27(28-32(8)19-20-38-28)26-25(35-31(6,7)36-26)24-21-33-30(4,5)34-24/h9-18,24-28H,19-21H2,1-8H3/t24-,25+,26-,27-,28?/m0/s1
InChIKeyUERQZWFCUYHDNO-KINFFZBNSA-N
XLogP4.61
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.86
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

[[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylsulfanylmethyl] acetate
CID 134916300
N-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[tert-butyl(diphenyl)silyl]oxymethanimine oxide
CID 177497464
[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-[(S)-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]prop-2-enoate
CID 11366077
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-oxoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11072519
(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one
CID 12039244
2-[(2S,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl]ethanol
CID 12039247
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-one
CID 161197599
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol
CID 132850699
(3R,3aR,6aR)-2-[(3aS,4R,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 102315526
(3S,4R)-1-[(R)-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 10951595
methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetate
CID 11223436
[(3aR,5S,6R,6aR)-6-(1,3-dithian-2-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 11409997

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(S)-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazolidin-2-yl)methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(S)-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazolidin-2-yl)methoxy]-diphenylsilane (CID 10555101) is tert-butyl-[(S)-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazolidin-2-yl)methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(S)-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazolidin-2-yl)methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(S)-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazolidin-2-yl)methoxy]-diphenylsilane is CN1CCSC1[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1[C@@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl-[(S)-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazolidin-2-yl)methoxy]-diphenylsilane?
The InChIKey is UERQZWFCUYHDNO-KINFFZBNSA-N. The full InChI is InChI=1S/C31H45NO5SSi/c1-29(2,3)39(22-15-11-9-12-16-22,23-17-13-10-14-18-23)37-27(28-32(8)19-20-38-28)26-25(35-31(6,7)36-26)24-21-33-30(4,5)34-24/h9-18,24-28H,19-21H2,1-8H3/t24-,25+,26-,27-,28?/m0/s1.
What are the key properties of tert-butyl-[(S)-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazolidin-2-yl)methoxy]-diphenylsilane?
tert-butyl-[(S)-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazolidin-2-yl)methoxy]-diphenylsilane has a molecular weight of 571.86 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(S)-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazolidin-2-yl)methoxy]-diphenylsilane is sourced from PubChem (CID 10555101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).