(2Z,4R,6Z,8E,12E,15S,16E,18Z)-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

C37H68O4Si2 — CID 11192978

IUPAC(2Z,4R,6Z,8E,12E,15S,16E,18Z)-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)/C(C)=C\CO
InChIInChI=1S/C37H68O4Si2/c1-32(22-20-18-16-14-15-17-19-21-23-35(39-9)33(2)26-29-38)24-25-34(27-30-40-42(10,11)36(3,4)5)28-31-41-43(12,13)37(6,7)8/h15,17-21,24-27,32,35,38H,14,16,22-23,28-31H2,1-13H3/b17-15+,20-18+,21-19-,25-24+,33-26-,34-27+/t32-,35+/m0/s1
InChIKeyTVZAPPNAZOENIF-IBHIOJJQSA-N
MW633.12 g/mol
LogP10.72
Rot. Bonds20

About (2Z,4R,6Z,8E,12E,15S,16E,18Z)-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)-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 11192978) has the molecular formula C37H68O4Si2 and a molecular weight of 633.12 g/mol. Its IUPAC name is (2Z,4R,6Z,8E,12E,15S,16E,18Z)-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)-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 CID11192978
Molecular FormulaC37H68O4Si2
Molecular Weight633.12 g/mol
Exact Mass632.47
IUPAC Name(2Z,4R,6Z,8E,12E,15S,16E,18Z)-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)/C(C)=C\CO
InChIInChI=1S/C37H68O4Si2/c1-32(22-20-18-16-14-15-17-19-21-23-35(39-9)33(2)26-29-38)24-25-34(27-30-40-42(10,11)36(3,4)5)28-31-41-43(12,13)37(6,7)8/h15,17-21,24-27,32,35,38H,14,16,22-23,28-31H2,1-13H3/b17-15+,20-18+,21-19-,25-24+,33-26-,34-27+/t32-,35+/m0/s1
InChIKeyTVZAPPNAZOENIF-IBHIOJJQSA-N
XLogP10.72
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.12
LogP ≤ 510.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-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

(3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol
CID 46180291
(2E,4Z,6Z,8S,9S,10E)-13-[tert-butyl(dimethyl)silyl]oxy-4,6,8,11-tetramethyltrideca-2,4,6,10-tetraene-1,9-diol
CID 46180292
(2E,7Z)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]octa-2,7-dien-1-ol
CID 53465582
(3S,4Z,6E,8R,9R,10E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-8,10,13-trimethyltetradeca-4,6,10-trien-1-ol
CID 60153235
(4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-1,4,6,10-tetraen-3-ol
CID 134887146
(4E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-9-trimethylsilylnona-1,4,8-trien-3-ol
CID 134887288
(3E,5S,6S,7Z,9E)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol
CID 135013678
(5Z,7S,8S,9E)-12-[tert-butyl(dimethyl)silyl]oxy-3,5,7,10-tetramethyl-3-trimethylsilyldodeca-1,5,9-triene-4,8-diol
CID 135013679
(3E,5S,6S,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-1-ol
CID 135014004
(2E,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3,4,6-trimethylnona-2,4-dien-1-ol
CID 138970955
(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dien-1-ol
CID 11209244
(3S,4Z,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyldeca-4,9-dien-3-ol
CID 58488358

Frequently Asked Questions

What is the IUPAC name of (2Z,4R,6Z,8E,12E,15S,16E,18Z)-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)-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 11192978) is (2Z,4R,6Z,8E,12E,15S,16E,18Z)-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)-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)-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)/C(C)=C\CO.
What is the InChIKey of (2Z,4R,6Z,8E,12E,15S,16E,18Z)-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 TVZAPPNAZOENIF-IBHIOJJQSA-N. The full InChI is InChI=1S/C37H68O4Si2/c1-32(22-20-18-16-14-15-17-19-21-23-35(39-9)33(2)26-29-38)24-25-34(27-30-40-42(10,11)36(3,4)5)28-31-41-43(12,13)37(6,7)8/h15,17-21,24-27,32,35,38H,14,16,22-23,28-31H2,1-13H3/b17-15+,20-18+,21-19-,25-24+,33-26-,34-27+/t32-,35+/m0/s1.
What are the key properties of (2Z,4R,6Z,8E,12E,15S,16E,18Z)-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)-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 633.12 g/mol, XLogP of 10.72, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4R,6Z,8E,12E,15S,16E,18Z)-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 11192978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).