[(1R,2S,4R)-5-(benzenesulfonyl)-1-(methoxymethoxy)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]oxy-tert-butyl-dimethylsilane

C24H42O7SSi — CID 71490041

IUPAC[(1R,2S,4R)-5-(benzenesulfonyl)-1-(methoxymethoxy)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCOCO[C@H]([C@H](C[C@@H](C)CS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C)C1(C)OCCO1
InChIInChI=1S/C24H42O7SSi/c1-19(17-32(25,26)20-12-10-9-11-13-20)16-21(31-33(7,8)23(2,3)4)22(28-18-27-6)24(5)29-14-15-30-24/h9-13,19,21-22H,14-18H2,1-8H3/t19-,21+,22-/m1/s1
InChIKeyIAWDKHJPFWGGAR-BAGYTPMASA-N
MW502.75 g/mol
LogP4.63
Rot. Bonds12

About [(1R,2S,4R)-5-(benzenesulfonyl)-1-(methoxymethoxy)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]oxy-tert-butyl-dimethylsilane

[(1R,2S,4R)-5-(benzenesulfonyl)-1-(methoxymethoxy)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 71490041) has the molecular formula C24H42O7SSi and a molecular weight of 502.75 g/mol. Its IUPAC name is [(1R,2S,4R)-5-(benzenesulfonyl)-1-(methoxymethoxy)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2S,4R)-5-(benzenesulfonyl)-1-(methoxymethoxy)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID71490041
Molecular FormulaC24H42O7SSi
Molecular Weight502.75 g/mol
Exact Mass502.24
IUPAC Name[(1R,2S,4R)-5-(benzenesulfonyl)-1-(methoxymethoxy)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCOCO[C@H]([C@H](C[C@@H](C)CS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C)C1(C)OCCO1
InChIInChI=1S/C24H42O7SSi/c1-19(17-32(25,26)20-12-10-9-11-13-20)16-21(31-33(7,8)23(2,3)4)22(28-18-27-6)24(5)29-14-15-30-24/h9-13,19,21-22H,14-18H2,1-8H3/t19-,21+,22-/m1/s1
InChIKeyIAWDKHJPFWGGAR-BAGYTPMASA-N
XLogP4.63
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.75
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-3-methoxy-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane
CID 58991065
[(4'aS,5'R,8'S,9'Z,10'aS)-5'-(benzenesulfonyl)-7',7',10'a-trimethylspiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8-hexahydro-1H-benzo[8]annulene]-8'-yl]oxy-tert-butyl-dimethylsilane
CID 10602409
[(2S,3S,6S)-1-(benzenesulfonyl)-2,6-dimethyloct-7-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 11004146
[(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
[(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane
CID 14240060
[(1R)-1-[(2S,5R)-5-[(2S)-5-(benzenesulfonyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane
CID 52920662
[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane
CID 134878980
[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane
CID 134936211
[(2S,3S,5R,6S,11R)-5-(benzenesulfonyl)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134936858
[1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane
CID 134937814
2-[(7S,8S,9S)-9-[2-(benzenesulfonyl)ethyl]-8-ethenyl-1,6,10-trioxaspiro[4.5]decan-7-yl]ethoxy-tert-butyl-dimethylsilane
CID 134970403
[(1R,2R,6S)-2-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]methyl tert-butyl carbonate
CID 139182732

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4R)-5-(benzenesulfonyl)-1-(methoxymethoxy)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,2S,4R)-5-(benzenesulfonyl)-1-(methoxymethoxy)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]oxy-tert-butyl-dimethylsilane (CID 71490041) is [(1R,2S,4R)-5-(benzenesulfonyl)-1-(methoxymethoxy)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,2S,4R)-5-(benzenesulfonyl)-1-(methoxymethoxy)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,2S,4R)-5-(benzenesulfonyl)-1-(methoxymethoxy)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]oxy-tert-butyl-dimethylsilane is COCO[C@H]([C@H](C[C@@H](C)CS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C)C1(C)OCCO1.
What is the InChIKey of [(1R,2S,4R)-5-(benzenesulfonyl)-1-(methoxymethoxy)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is IAWDKHJPFWGGAR-BAGYTPMASA-N. The full InChI is InChI=1S/C24H42O7SSi/c1-19(17-32(25,26)20-12-10-9-11-13-20)16-21(31-33(7,8)23(2,3)4)22(28-18-27-6)24(5)29-14-15-30-24/h9-13,19,21-22H,14-18H2,1-8H3/t19-,21+,22-/m1/s1.
What are the key properties of [(1R,2S,4R)-5-(benzenesulfonyl)-1-(methoxymethoxy)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]oxy-tert-butyl-dimethylsilane?
[(1R,2S,4R)-5-(benzenesulfonyl)-1-(methoxymethoxy)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 502.75 g/mol, XLogP of 4.63, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4R)-5-(benzenesulfonyl)-1-(methoxymethoxy)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pentan-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 71490041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).