(2Z,4R,6Z,8E,12E,15S,16E,18Z)-11-(benzenesulfonyl)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,15-dimethylicosa-2,6,8,12,16,18-hexaen-1-ol

C43H72O6SSi2 — CID 11205022

IUPAC(2Z,4R,6Z,8E,12E,15S,16E,18Z)-11-(benzenesulfonyl)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,15-dimethylicosa-2,6,8,12,16,18-hexaen-1-ol
SMILESCO[C@H](C/C=C\C=C\CC(/C=C/C[C@H](C)/C=C/C(=C\CO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1)/C(C)=C\CO
InChIInChI=1S/C43H72O6SSi2/c1-36(28-29-38(31-34-48-51(10,11)42(3,4)5)32-35-49-52(12,13)43(6,7)8)22-21-26-40(50(45,46)39-24-18-16-19-25-39)23-17-14-15-20-27-41(47-9)37(2)30-33-44/h14-21,24-26,28-31,36,40-41,44H,22-23,27,32-35H2,1-13H3/b17-14+,20-15-,26-21+,29-28+,37-30-,38-31+/t36-,40?,41+/m0/s1
InChIKeyJLYCAYIQGZDZSW-RNNPDGMISA-N
MW773.28 g/mol
LogP11.17
Rot. Bonds22

About (2Z,4R,6Z,8E,12E,15S,16E,18Z)-11-(benzenesulfonyl)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,15-dimethylicosa-2,6,8,12,16,18-hexaen-1-ol

(2Z,4R,6Z,8E,12E,15S,16E,18Z)-11-(benzenesulfonyl)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,15-dimethylicosa-2,6,8,12,16,18-hexaen-1-ol (PubChem CID 11205022) has the molecular formula C43H72O6SSi2 and a molecular weight of 773.28 g/mol. Its IUPAC name is (2Z,4R,6Z,8E,12E,15S,16E,18Z)-11-(benzenesulfonyl)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,15-dimethylicosa-2,6,8,12,16,18-hexaen-1-ol.

Molecular Properties

Compound Name(2Z,4R,6Z,8E,12E,15S,16E,18Z)-11-(benzenesulfonyl)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,15-dimethylicosa-2,6,8,12,16,18-hexaen-1-ol
PubChem CID11205022
Molecular FormulaC43H72O6SSi2
Molecular Weight773.28 g/mol
Exact Mass772.46
IUPAC Name(2Z,4R,6Z,8E,12E,15S,16E,18Z)-11-(benzenesulfonyl)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,15-dimethylicosa-2,6,8,12,16,18-hexaen-1-ol
SMILESCO[C@H](C/C=C\C=C\CC(/C=C/C[C@H](C)/C=C/C(=C\CO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1)/C(C)=C\CO
InChIInChI=1S/C43H72O6SSi2/c1-36(28-29-38(31-34-48-51(10,11)42(3,4)5)32-35-49-52(12,13)43(6,7)8)22-21-26-40(50(45,46)39-24-18-16-19-25-39)23-17-14-15-20-27-41(47-9)37(2)30-33-44/h14-21,24-26,28-31,36,40-41,44H,22-23,27,32-35H2,1-13H3/b17-14+,20-15-,26-21+,29-28+,37-30-,38-31+/t36-,40?,41+/m0/s1
InChIKeyJLYCAYIQGZDZSW-RNNPDGMISA-N
XLogP11.17
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.28
LogP ≤ 511.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2Z,4R,6Z,8E,12E,15S,16E,18Z)-11-(benzenesulfonyl)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,15-dimethylicosa-2,6,8,12,16,18-hexaen-1-ol 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

(1R,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 340334
(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 13174095
(1S)-5-(benzenesulfonyl)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclopent-3-en-1-yloxycyclohexa-2,4-dien-1-ol
CID 101535670
2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane
CID 102127109
2-[(2S)-1-(benzenesulfonyl)but-3-yn-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 138980718
2-[(Z)-2-(benzenesulfonyl)-2-triethylsilylethenyl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 138980719
2-[(2R)-1-(benzenesulfonyl)but-3-yn-2-yl]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 138980720
[(E,2S,5R)-6-(benzenesulfonyl)-3,5-dimethylhex-3-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 154707214
[(2S,4Z,6E,8S)-10-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxydeca-4,6-dien-2-yl]oxy-tert-butyl-dimethylsilane
CID 155931673
2-(Benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 4593530
(1S, 4R, 5S, 6S)-3-Benzenesulfonyl-5-(tert-butyl-dimethyl-silanyloxy)-4,6-dimethyl-cyclohex-2-enol
CID 11223219
5-Methoxy-3,7,11,15-tetramethyl-9-(4-methylphenyl)sulfonylhexadeca-2,6,10,14-tetraen-1-ol
CID 54240034

Frequently Asked Questions

What is the IUPAC name of (2Z,4R,6Z,8E,12E,15S,16E,18Z)-11-(benzenesulfonyl)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,15-dimethylicosa-2,6,8,12,16,18-hexaen-1-ol?
The IUPAC name of (2Z,4R,6Z,8E,12E,15S,16E,18Z)-11-(benzenesulfonyl)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,15-dimethylicosa-2,6,8,12,16,18-hexaen-1-ol (CID 11205022) is (2Z,4R,6Z,8E,12E,15S,16E,18Z)-11-(benzenesulfonyl)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,15-dimethylicosa-2,6,8,12,16,18-hexaen-1-ol.
What is the SMILES notation for (2Z,4R,6Z,8E,12E,15S,16E,18Z)-11-(benzenesulfonyl)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,15-dimethylicosa-2,6,8,12,16,18-hexaen-1-ol?
The canonical SMILES for (2Z,4R,6Z,8E,12E,15S,16E,18Z)-11-(benzenesulfonyl)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,15-dimethylicosa-2,6,8,12,16,18-hexaen-1-ol is CO[C@H](C/C=C\C=C\CC(/C=C/C[C@H](C)/C=C/C(=C\CO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1)/C(C)=C\CO.
What is the InChIKey of (2Z,4R,6Z,8E,12E,15S,16E,18Z)-11-(benzenesulfonyl)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,15-dimethylicosa-2,6,8,12,16,18-hexaen-1-ol?
The InChIKey is JLYCAYIQGZDZSW-RNNPDGMISA-N. The full InChI is InChI=1S/C43H72O6SSi2/c1-36(28-29-38(31-34-48-51(10,11)42(3,4)5)32-35-49-52(12,13)43(6,7)8)22-21-26-40(50(45,46)39-24-18-16-19-25-39)23-17-14-15-20-27-41(47-9)37(2)30-33-44/h14-21,24-26,28-31,36,40-41,44H,22-23,27,32-35H2,1-13H3/b17-14+,20-15-,26-21+,29-28+,37-30-,38-31+/t36-,40?,41+/m0/s1.
What are the key properties of (2Z,4R,6Z,8E,12E,15S,16E,18Z)-11-(benzenesulfonyl)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,15-dimethylicosa-2,6,8,12,16,18-hexaen-1-ol?
(2Z,4R,6Z,8E,12E,15S,16E,18Z)-11-(benzenesulfonyl)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,15-dimethylicosa-2,6,8,12,16,18-hexaen-1-ol has a molecular weight of 773.28 g/mol, XLogP of 11.17, 22 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4R,6Z,8E,12E,15S,16E,18Z)-11-(benzenesulfonyl)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,15-dimethylicosa-2,6,8,12,16,18-hexaen-1-ol is sourced from PubChem (CID 11205022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).