[(2R,6R)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane

C26H46O5SSi — CID 10505505

IUPAC[(2R,6R)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane
SMILESC[C@@H](COC1CCCCO1)CC(C[C@@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H46O5SSi/c1-21(19-30-25-15-11-12-16-29-25)17-24(32(27,28)23-13-9-8-10-14-23)18-22(2)20-31-33(6,7)26(3,4)5/h8-10,13-14,21-22,24-25H,11-12,15-20H2,1-7H3/t21-,22-,24?,25?/m1/s1
InChIKeyBSKJYLCDHDKEGB-FFMTYJSISA-N
MW498.80 g/mol
LogP6.45
Rot. Bonds12

About [(2R,6R)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane

[(2R,6R)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane (PubChem CID 10505505) has the molecular formula C26H46O5SSi and a molecular weight of 498.80 g/mol. Its IUPAC name is [(2R,6R)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,6R)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane
PubChem CID10505505
Molecular FormulaC26H46O5SSi
Molecular Weight498.80 g/mol
Exact Mass498.28
IUPAC Name[(2R,6R)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane
SMILESC[C@@H](COC1CCCCO1)CC(C[C@@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H46O5SSi/c1-21(19-30-25-15-11-12-16-29-25)17-24(32(27,28)23-13-9-8-10-14-23)18-22(2)20-31-33(6,7)26(3,4)5/h8-10,13-14,21-22,24-25H,11-12,15-20H2,1-7H3/t21-,22-,24?,25?/m1/s1
InChIKeyBSKJYLCDHDKEGB-FFMTYJSISA-N
XLogP6.45
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.80
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R,6R)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-Pyran, 2-[1,1-dimethyl-3-(phenylsulfonyl)propoxy]tetrahydro-
CID 11045209
[(4R,5S,6S)-8-(benzenesulfonyl)-5-(methoxymethoxy)-4,6-dimethyloctoxy]-tert-butyl-diphenylsilane
CID 10438503
(2R,3S,6R,8S,9R)-2-[(2S)-1-(benzenesulfonyl)propan-2-yl]-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecane
CID 10939278
[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane
CID 134878980
(3R,6S)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-3-methyl-1,7-dioxaspiro[5.5]undecane
CID 134886620
[(2S,3S,5R,6S,11R)-5-(benzenesulfonyl)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134936858
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
[3-[1-(Benzenesulfonyl)-3,3,3-trimethoxypropyl]cyclohexen-1-yl]oxy-trimethylsilane
CID 135050285
[(2R,3R)-3-(benzenesulfonyl)-3-[6-(oxan-2-yloxy)hexyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10481530
[(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
2-[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]oxane
CID 11044733
Tetrahydro-2-[(2S)-1,1,2-trimethyl-3-(phenylsulfonyl)propoxy]-2H-pyran
CID 14443721

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,6R)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane (CID 10505505) is [(2R,6R)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,6R)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,6R)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane is C[C@@H](COC1CCCCO1)CC(C[C@@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R,6R)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane?
The InChIKey is BSKJYLCDHDKEGB-FFMTYJSISA-N. The full InChI is InChI=1S/C26H46O5SSi/c1-21(19-30-25-15-11-12-16-29-25)17-24(32(27,28)23-13-9-8-10-14-23)18-22(2)20-31-33(6,7)26(3,4)5/h8-10,13-14,21-22,24-25H,11-12,15-20H2,1-7H3/t21-,22-,24?,25?/m1/s1.
What are the key properties of [(2R,6R)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane?
[(2R,6R)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane has a molecular weight of 498.80 g/mol, XLogP of 6.45, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10505505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).