[(2S)-2-[(4S,5S)-5-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane

C23H40O5SSi — CID 11826591

IUPAC[(2S)-2-[(4S,5S)-5-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1[C@@H](C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H40O5SSi/c1-17(15-26-30(8,9)22(3,4)5)20-21(28-23(6,7)27-20)18(2)16-29(24,25)19-13-11-10-12-14-19/h10-14,17-18,20-21H,15-16H2,1-9H3/t17-,18-,20-,21-/m0/s1
InChIKeyQFPFZZFBNAFNLN-QIJZPMMNSA-N
MW456.72 g/mol
LogP5.27
Rot. Bonds8

About [(2S)-2-[(4S,5S)-5-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane

[(2S)-2-[(4S,5S)-5-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane (PubChem CID 11826591) has the molecular formula C23H40O5SSi and a molecular weight of 456.72 g/mol. Its IUPAC name is [(2S)-2-[(4S,5S)-5-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S)-2-[(4S,5S)-5-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane
PubChem CID11826591
Molecular FormulaC23H40O5SSi
Molecular Weight456.72 g/mol
Exact Mass456.24
IUPAC Name[(2S)-2-[(4S,5S)-5-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1[C@@H](C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H40O5SSi/c1-17(15-26-30(8,9)22(3,4)5)20-21(28-23(6,7)27-20)18(2)16-29(24,25)19-13-11-10-12-14-19/h10-14,17-18,20-21H,15-16H2,1-9H3/t17-,18-,20-,21-/m0/s1
InChIKeyQFPFZZFBNAFNLN-QIJZPMMNSA-N
XLogP5.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.72
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 91713347
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CID 58991065
[(3S)-3-[(4S,5R,6R)-6-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-methoxyprop-1-ynyl]-tert-butyl-dimethylsilane
CID 11103057
[(3aR,4S,6S,7S,7aS)-2,2,6-trimethyl-4-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 11304434
(4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane
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[1-(Benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane
CID 12842285
[(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane
CID 14240060
(5R)-5-[2-(benzenesulfonyl)ethyl]-2,2,4,4-tetramethyl-1,3-dioxolane
CID 15161471
[(3S,4R,5S,6S)-2-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 102281305
[(2S,3R,4S,5S,6S)-2-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 132575049
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CID 134840173
[(4S)-5-(benzenesulfonyl)-4-cyclopent-3-en-1-yloxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy-tert-butyl-dimethylsilane
CID 134840174

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(4S,5S)-5-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2S)-2-[(4S,5S)-5-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane (CID 11826591) is [(2S)-2-[(4S,5S)-5-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S)-2-[(4S,5S)-5-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S)-2-[(4S,5S)-5-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane is C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1[C@@H](C)CS(=O)(=O)c1ccccc1.
What is the InChIKey of [(2S)-2-[(4S,5S)-5-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane?
The InChIKey is QFPFZZFBNAFNLN-QIJZPMMNSA-N. The full InChI is InChI=1S/C23H40O5SSi/c1-17(15-26-30(8,9)22(3,4)5)20-21(28-23(6,7)27-20)18(2)16-29(24,25)19-13-11-10-12-14-19/h10-14,17-18,20-21H,15-16H2,1-9H3/t17-,18-,20-,21-/m0/s1.
What are the key properties of [(2S)-2-[(4S,5S)-5-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane?
[(2S)-2-[(4S,5S)-5-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane has a molecular weight of 456.72 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(4S,5S)-5-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11826591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).