[(3S,4E,8E)-6-(benzenesulfonyl)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,8-dienoxy]-tert-butyl-diphenylsilane

C41H60O4SSi2 — CID 10628534

IUPAC[(3S,4E,8E)-6-(benzenesulfonyl)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,8-dienoxy]-tert-butyl-diphenylsilane
SMILESC/C(=C\CO[Si](C)(C)C(C)(C)C)CC(/C=C(\C)[C@@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C41H60O4SSi2/c1-33(27-29-44-47(10,11)40(4,5)6)31-37(46(42,43)36-21-15-12-16-22-36)32-35(3)34(2)28-30-45-48(41(7,8)9,38-23-17-13-18-24-38)39-25-19-14-20-26-39/h12-27,32,34,37H,28-31H2,1-11H3/b33-27+,35-32+/t34-,37?/m0/s1
InChIKeyPCQNMSNWDURFGG-YHQUAJNJSA-N
MW705.17 g/mol
LogP9.74
Rot. Bonds15

About [(3S,4E,8E)-6-(benzenesulfonyl)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,8-dienoxy]-tert-butyl-diphenylsilane

[(3S,4E,8E)-6-(benzenesulfonyl)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,8-dienoxy]-tert-butyl-diphenylsilane (PubChem CID 10628534) has the molecular formula C41H60O4SSi2 and a molecular weight of 705.17 g/mol. Its IUPAC name is [(3S,4E,8E)-6-(benzenesulfonyl)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,8-dienoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3S,4E,8E)-6-(benzenesulfonyl)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,8-dienoxy]-tert-butyl-diphenylsilane
PubChem CID10628534
Molecular FormulaC41H60O4SSi2
Molecular Weight705.17 g/mol
Exact Mass704.38
IUPAC Name[(3S,4E,8E)-6-(benzenesulfonyl)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,8-dienoxy]-tert-butyl-diphenylsilane
SMILESC/C(=C\CO[Si](C)(C)C(C)(C)C)CC(/C=C(\C)[C@@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C41H60O4SSi2/c1-33(27-29-44-47(10,11)40(4,5)6)31-37(46(42,43)36-21-15-12-16-22-36)32-35(3)34(2)28-30-45-48(41(7,8)9,38-23-17-13-18-24-38)39-25-19-14-20-26-39/h12-27,32,34,37H,28-31H2,1-11H3/b33-27+,35-32+/t34-,37?/m0/s1
InChIKeyPCQNMSNWDURFGG-YHQUAJNJSA-N
XLogP9.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.17
LogP ≤ 59.74
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'}

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Frequently Asked Questions

What is the IUPAC name of [(3S,4E,8E)-6-(benzenesulfonyl)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,8-dienoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(3S,4E,8E)-6-(benzenesulfonyl)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,8-dienoxy]-tert-butyl-diphenylsilane (CID 10628534) is [(3S,4E,8E)-6-(benzenesulfonyl)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,8-dienoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3S,4E,8E)-6-(benzenesulfonyl)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,8-dienoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(3S,4E,8E)-6-(benzenesulfonyl)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,8-dienoxy]-tert-butyl-diphenylsilane is C/C(=C\CO[Si](C)(C)C(C)(C)C)CC(/C=C(\C)[C@@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(3S,4E,8E)-6-(benzenesulfonyl)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,8-dienoxy]-tert-butyl-diphenylsilane?
The InChIKey is PCQNMSNWDURFGG-YHQUAJNJSA-N. The full InChI is InChI=1S/C41H60O4SSi2/c1-33(27-29-44-47(10,11)40(4,5)6)31-37(46(42,43)36-21-15-12-16-22-36)32-35(3)34(2)28-30-45-48(41(7,8)9,38-23-17-13-18-24-38)39-25-19-14-20-26-39/h12-27,32,34,37H,28-31H2,1-11H3/b33-27+,35-32+/t34-,37?/m0/s1.
What are the key properties of [(3S,4E,8E)-6-(benzenesulfonyl)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,8-dienoxy]-tert-butyl-diphenylsilane?
[(3S,4E,8E)-6-(benzenesulfonyl)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,8-dienoxy]-tert-butyl-diphenylsilane has a molecular weight of 705.17 g/mol, XLogP of 9.74, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4E,8E)-6-(benzenesulfonyl)-10-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trimethyldeca-4,8-dienoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 10628534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).