(Z)-7-[(2S,3S,5S)-5-[(E,1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-enoic acid

C38H76O6Si3 — CID 11585709

IUPAC(Z)-7-[(2S,3S,5S)-5-[(E,1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-enoic acid
SMILESCCCCC[C@@H](/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C/C=C\CCCC(=O)O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C38H76O6Si3/c1-17-18-21-24-30(42-45(11,12)36(2,3)4)27-28-32(43-46(13,14)37(5,6)7)33-29-34(44-47(15,16)38(8,9)10)31(41-33)25-22-19-20-23-26-35(39)40/h19,22,27-28,30-34H,17-18,20-21,23-26,29H2,1-16H3,(H,39,40)/b22-19-,28-27+/t30-,31-,32+,33-,34-/m0/s1
InChIKeyUAOGLVKRDUAPAU-RUOMRYQDSA-N
MW713.28 g/mol
LogP11.65
Rot. Bonds19

About (Z)-7-[(2S,3S,5S)-5-[(E,1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-enoic acid

(Z)-7-[(2S,3S,5S)-5-[(E,1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-enoic acid (PubChem CID 11585709) has the molecular formula C38H76O6Si3 and a molecular weight of 713.28 g/mol. Its IUPAC name is (Z)-7-[(2S,3S,5S)-5-[(E,1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(2S,3S,5S)-5-[(E,1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-enoic acid
PubChem CID11585709
Molecular FormulaC38H76O6Si3
Molecular Weight713.28 g/mol
Exact Mass712.49
IUPAC Name(Z)-7-[(2S,3S,5S)-5-[(E,1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-enoic acid
SMILESCCCCC[C@@H](/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C/C=C\CCCC(=O)O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C38H76O6Si3/c1-17-18-21-24-30(42-45(11,12)36(2,3)4)27-28-32(43-46(13,14)37(5,6)7)33-29-34(44-47(15,16)38(8,9)10)31(41-33)25-22-19-20-23-26-35(39)40/h19,22,27-28,30-34H,17-18,20-21,23-26,29H2,1-16H3,(H,39,40)/b22-19-,28-27+/t30-,31-,32+,33-,34-/m0/s1
InChIKeyUAOGLVKRDUAPAU-RUOMRYQDSA-N
XLogP11.65
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.28
LogP ≤ 511.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze (Z)-7-[(2S,3S,5S)-5-[(E,1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-enoic acid 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,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate
CID 101747690
(2R,3R,4S,5E,7S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-heptyl-7-hydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 134842208
4-[[(2R,3R,4S,5E,7S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-heptyl-10-oxo-2,3,4,7,8,9-hexahydrooxecin-7-yl]oxy]-4-oxobutanoic acid
CID 134842209
[(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate;carbon monoxide;cobalt
CID 134885250
[(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-yl] acetate
CID 134885252
5-Octenoic acid, 8-[tetrahydro-4-[(trimethylsilyl)oxy]-5-[3-[(trimethylsilyl)oxy]-1-octenyl]-2-furanyl]-8-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 5371731
5-Octenoic acid, 8-[tetrahydro-4-[(trimethylsilyl)oxy]-5-[3-[(trimethylsilyl)oxy]-1-octenyl]-2-furanyl]-8-[(trimethylsilyl)oxy]-, methyl ester
CID 5377058
2-Furanoctanoic acid, tetrahydro-eta,4-bis[(trimethylsilyl)oxy]-5-[3-[(trimethylsilyl)oxy]-1-octenyl]-, methyl ester
CID 5377100
2-Furanoctanoic acid, tetrahydro-eta,4-bis[(trimethylsilyl)oxy]-5-[3-[(trimethylsilyl)oxy]-1-octenyl]-, trimethylsilyl ester
CID 5378607
(9S,12S,13S)-(E)-12,13-di-tert-butyldimethylsiloxy-9-hydroxy-10-octadecaenoic Acid t-butyl Ester
CID 11377032
tert-butyl (E,9S,12S,13R)-12,13-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxyoctadec-10-enoate
CID 57755998
(9S,12R,13S)-(E)-13-acetoxy-9-hydroxy-12-triisopropylsiloxy-10-octadecaenoic Acid t-butyl Ester
CID 57756001

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(2S,3S,5S)-5-[(E,1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(2S,3S,5S)-5-[(E,1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-enoic acid (CID 11585709) is (Z)-7-[(2S,3S,5S)-5-[(E,1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(2S,3S,5S)-5-[(E,1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(2S,3S,5S)-5-[(E,1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-enoic acid is CCCCC[C@@H](/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C/C=C\CCCC(=O)O)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-7-[(2S,3S,5S)-5-[(E,1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-enoic acid?
The InChIKey is UAOGLVKRDUAPAU-RUOMRYQDSA-N. The full InChI is InChI=1S/C38H76O6Si3/c1-17-18-21-24-30(42-45(11,12)36(2,3)4)27-28-32(43-46(13,14)37(5,6)7)33-29-34(44-47(15,16)38(8,9)10)31(41-33)25-22-19-20-23-26-35(39)40/h19,22,27-28,30-34H,17-18,20-21,23-26,29H2,1-16H3,(H,39,40)/b22-19-,28-27+/t30-,31-,32+,33-,34-/m0/s1.
What are the key properties of (Z)-7-[(2S,3S,5S)-5-[(E,1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-enoic acid?
(Z)-7-[(2S,3S,5S)-5-[(E,1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-enoic acid has a molecular weight of 713.28 g/mol, XLogP of 11.65, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(2S,3S,5S)-5-[(E,1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-enoic acid is sourced from PubChem (CID 11585709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).