[(2R,6R,10S,14S)-2-[2-(benzenesulfonyl)ethyl]-6,10,14,18-tetramethyl-6,10,14-tris(triethylsilyloxy)nonadec-17-en-2-yl]oxy-triethylsilane

C55H110O6SSi4 — CID 11412090

IUPAC[(2R,6R,10S,14S)-2-[2-(benzenesulfonyl)ethyl]-6,10,14,18-tetramethyl-6,10,14-tris(triethylsilyloxy)nonadec-17-en-2-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@](C)(CCC[C@](C)(CCC[C@](C)(CCS(=O)(=O)c1ccccc1)O[Si](CC)(CC)CC)O[Si](CC)(CC)CC)CCC[C@@](C)(CCC=C(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C55H110O6SSi4/c1-19-63(20-2,21-3)58-52(15,41-34-38-50(13)14)42-35-43-53(16,59-64(22-4,23-5)24-6)44-36-45-54(17,60-65(25-7,26-8)27-9)46-37-47-55(18,61-66(28-10,29-11)30-12)48-49-62(56,57)51-39-32-31-33-40-51/h31-33,38-40H,19-30,34-37,41-49H2,1-18H3/t52-,53-,54-,55-/m1/s1
InChIKeyWDFCOSOKTWEHED-IEUCTDKYSA-N
MW1011.89 g/mol
LogP18.23
Rot. Bonds39

About [(2R,6R,10S,14S)-2-[2-(benzenesulfonyl)ethyl]-6,10,14,18-tetramethyl-6,10,14-tris(triethylsilyloxy)nonadec-17-en-2-yl]oxy-triethylsilane

[(2R,6R,10S,14S)-2-[2-(benzenesulfonyl)ethyl]-6,10,14,18-tetramethyl-6,10,14-tris(triethylsilyloxy)nonadec-17-en-2-yl]oxy-triethylsilane (PubChem CID 11412090) has the molecular formula C55H110O6SSi4 and a molecular weight of 1011.89 g/mol. Its IUPAC name is [(2R,6R,10S,14S)-2-[2-(benzenesulfonyl)ethyl]-6,10,14,18-tetramethyl-6,10,14-tris(triethylsilyloxy)nonadec-17-en-2-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(2R,6R,10S,14S)-2-[2-(benzenesulfonyl)ethyl]-6,10,14,18-tetramethyl-6,10,14-tris(triethylsilyloxy)nonadec-17-en-2-yl]oxy-triethylsilane
PubChem CID11412090
Molecular FormulaC55H110O6SSi4
Molecular Weight1011.89 g/mol
Exact Mass1010.71
IUPAC Name[(2R,6R,10S,14S)-2-[2-(benzenesulfonyl)ethyl]-6,10,14,18-tetramethyl-6,10,14-tris(triethylsilyloxy)nonadec-17-en-2-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@](C)(CCC[C@](C)(CCC[C@](C)(CCS(=O)(=O)c1ccccc1)O[Si](CC)(CC)CC)O[Si](CC)(CC)CC)CCC[C@@](C)(CCC=C(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C55H110O6SSi4/c1-19-63(20-2,21-3)58-52(15,41-34-38-50(13)14)42-35-43-53(16,59-64(22-4,23-5)24-6)44-36-45-54(17,60-65(25-7,26-8)27-9)46-37-47-55(18,61-66(28-10,29-11)30-12)48-49-62(56,57)51-39-32-31-33-40-51/h31-33,38-40H,19-30,34-37,41-49H2,1-18H3/t52-,53-,54-,55-/m1/s1
InChIKeyWDFCOSOKTWEHED-IEUCTDKYSA-N
XLogP18.23
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds39
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.89
LogP ≤ 518.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 [(2R,6R,10S,14S)-2-[2-(benzenesulfonyl)ethyl]-6,10,14,18-tetramethyl-6,10,14-tris(triethylsilyloxy)nonadec-17-en-2-yl]oxy-triethylsilane?
The IUPAC name of [(2R,6R,10S,14S)-2-[2-(benzenesulfonyl)ethyl]-6,10,14,18-tetramethyl-6,10,14-tris(triethylsilyloxy)nonadec-17-en-2-yl]oxy-triethylsilane (CID 11412090) is [(2R,6R,10S,14S)-2-[2-(benzenesulfonyl)ethyl]-6,10,14,18-tetramethyl-6,10,14-tris(triethylsilyloxy)nonadec-17-en-2-yl]oxy-triethylsilane.
What is the SMILES notation for [(2R,6R,10S,14S)-2-[2-(benzenesulfonyl)ethyl]-6,10,14,18-tetramethyl-6,10,14-tris(triethylsilyloxy)nonadec-17-en-2-yl]oxy-triethylsilane?
The canonical SMILES for [(2R,6R,10S,14S)-2-[2-(benzenesulfonyl)ethyl]-6,10,14,18-tetramethyl-6,10,14-tris(triethylsilyloxy)nonadec-17-en-2-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@@](C)(CCC[C@](C)(CCC[C@](C)(CCS(=O)(=O)c1ccccc1)O[Si](CC)(CC)CC)O[Si](CC)(CC)CC)CCC[C@@](C)(CCC=C(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of [(2R,6R,10S,14S)-2-[2-(benzenesulfonyl)ethyl]-6,10,14,18-tetramethyl-6,10,14-tris(triethylsilyloxy)nonadec-17-en-2-yl]oxy-triethylsilane?
The InChIKey is WDFCOSOKTWEHED-IEUCTDKYSA-N. The full InChI is InChI=1S/C55H110O6SSi4/c1-19-63(20-2,21-3)58-52(15,41-34-38-50(13)14)42-35-43-53(16,59-64(22-4,23-5)24-6)44-36-45-54(17,60-65(25-7,26-8)27-9)46-37-47-55(18,61-66(28-10,29-11)30-12)48-49-62(56,57)51-39-32-31-33-40-51/h31-33,38-40H,19-30,34-37,41-49H2,1-18H3/t52-,53-,54-,55-/m1/s1.
What are the key properties of [(2R,6R,10S,14S)-2-[2-(benzenesulfonyl)ethyl]-6,10,14,18-tetramethyl-6,10,14-tris(triethylsilyloxy)nonadec-17-en-2-yl]oxy-triethylsilane?
[(2R,6R,10S,14S)-2-[2-(benzenesulfonyl)ethyl]-6,10,14,18-tetramethyl-6,10,14-tris(triethylsilyloxy)nonadec-17-en-2-yl]oxy-triethylsilane has a molecular weight of 1011.89 g/mol, XLogP of 18.23, 39 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R,10S,14S)-2-[2-(benzenesulfonyl)ethyl]-6,10,14,18-tetramethyl-6,10,14-tris(triethylsilyloxy)nonadec-17-en-2-yl]oxy-triethylsilane is sourced from PubChem (CID 11412090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).