tert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol

C118H181ClO8Si4 — CID 159347963

IUPACtert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol
SMILESCC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.CCCCCCCC/C=C\CCCCCCCCOCC(COCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCCCCCCC/C=C\CCCCCCCCOCC(O)COCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C59H90O4Si2.C43H72O4Si.C16H19ClSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-37-48-60-51-53(63-65(59(5,6)7,56-44-33-27-34-45-56)57-46-35-28-36-47-57)52-61-49-38-23-24-39-50-62-64(58(2,3)4,54-40-29-25-30-41-54)55-42-31-26-32-43-55;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-35-45-38-40(44)39-46-36-29-20-21-30-37-47-48(43(2,3)4,41-31-24-22-25-32-41)42-33-26-23-27-34-42;1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h15-16,25-36,40-47,53H,8-14,17-24,37-39,48-52H2,1-7H3;12-13,22-27,31-34,40,44H,5-11,14-21,28-30,35-39H2,1-4H3;4-13H,1-3H3/b16-15-;13-12-;
InChIKeyLGYQXJVJPSHPKA-DBRLYUOSSA-N
MW1875.54 g/mol
LogP28.48
Rot. Bonds66

About tert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol

tert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol (PubChem CID 159347963) has the molecular formula C118H181ClO8Si4 and a molecular weight of 1875.54 g/mol. Its IUPAC name is tert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol.

Molecular Properties

Compound Nametert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol
PubChem CID159347963
Molecular FormulaC118H181ClO8Si4
Molecular Weight1875.54 g/mol
Exact Mass1873.25
IUPAC Nametert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol
SMILESCC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.CCCCCCCC/C=C\CCCCCCCCOCC(COCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCCCCCCC/C=C\CCCCCCCCOCC(O)COCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C59H90O4Si2.C43H72O4Si.C16H19ClSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-37-48-60-51-53(63-65(59(5,6)7,56-44-33-27-34-45-56)57-46-35-28-36-47-57)52-61-49-38-23-24-39-50-62-64(58(2,3)4,54-40-29-25-30-41-54)55-42-31-26-32-43-55;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-35-45-38-40(44)39-46-36-29-20-21-30-37-47-48(43(2,3)4,41-31-24-22-25-32-41)42-33-26-23-27-34-42;1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h15-16,25-36,40-47,53H,8-14,17-24,37-39,48-52H2,1-7H3;12-13,22-27,31-34,40,44H,5-11,14-21,28-30,35-39H2,1-4H3;4-13H,1-3H3/b16-15-;13-12-;
InChIKeyLGYQXJVJPSHPKA-DBRLYUOSSA-N
XLogP28.48
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds66
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001875.54
LogP ≤ 528.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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': 'silicon_halogen', 'substructure': 'N/A'}

Analyze tert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-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

(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
CID 171529712
tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
CID 69009078
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
tert-butyl-[(5Z,8Z,11E,14E)-6,9-difluoroicosa-5,8,11,14-tetraenoxy]-diphenylsilane
CID 23168652
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-hexadec-1-enoxy]propan-1-ol
CID 11028057
1-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]decan-3-yl dodecanoate
CID 20578345
tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane
CID 71404440
methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate
CID 10256822

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol?
The IUPAC name of tert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol (CID 159347963) is tert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol.
What is the SMILES notation for tert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol?
The canonical SMILES for tert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol is CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.CCCCCCCC/C=C\CCCCCCCCOCC(COCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CCCCCCCC/C=C\CCCCCCCCOCC(O)COCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol?
The InChIKey is LGYQXJVJPSHPKA-DBRLYUOSSA-N. The full InChI is InChI=1S/C59H90O4Si2.C43H72O4Si.C16H19ClSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-37-48-60-51-53(63-65(59(5,6)7,56-44-33-27-34-45-56)57-46-35-28-36-47-57)52-61-49-38-23-24-39-50-62-64(58(2,3)4,54-40-29-25-30-41-54)55-42-31-26-32-43-55;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-35-45-38-40(44)39-46-36-29-20-21-30-37-47-48(43(2,3)4,41-31-24-22-25-32-41)42-33-26-23-27-34-42;1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h15-16,25-36,40-47,53H,8-14,17-24,37-39,48-52H2,1-7H3;12-13,22-27,31-34,40,44H,5-11,14-21,28-30,35-39H2,1-4H3;4-13H,1-3H3/b16-15-;13-12-;.
What are the key properties of tert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol?
tert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol has a molecular weight of 1875.54 g/mol, XLogP of 28.48, 66 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol is sourced from PubChem (CID 159347963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).