sodium;tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;hydroxide

C43H87NaO8Si2 — CID 159189297

IUPACsodium;tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;hydroxide
SMILESCC(/C=C\[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@H]1CCO.CCC[C@@H]1OC(C)(C)O[C@@H]1C(C)/C=C\[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C.[Na+].[OH-]
InChIInChI=1S/C22H44O3Si.C21H42O4Si.Na.H2O/c1-12-13-19-20(24-22(8,9)23-19)17(3)15-14-16(2)18(4)25-26(10,11)21(5,6)7;1-15(17(3)25-26(9,10)20(4,5)6)11-12-16(2)19-18(13-14-22)23-21(7,8)24-19;;/h14-20H,12-13H2,1-11H3;11-12,15-19,22H,13-14H2,1-10H3;;1H2/q;;+1;/p-1/b15-14-;12-11-;;/t16-,17?,18+,19+,20-;15-,16?,17+,18+,19-;;/m11../s1
InChIKeyKNWPKLQYBJRNOD-LGVYOEEBSA-M
MW811.32 g/mol
LogP8.50
Rot. Bonds16

About sodium;tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;hydroxide

sodium;tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;hydroxide (PubChem CID 159189297) has the molecular formula C43H87NaO8Si2 and a molecular weight of 811.32 g/mol. Its IUPAC name is sodium;tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;hydroxide.

Molecular Properties

Compound Namesodium;tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;hydroxide
PubChem CID159189297
Molecular FormulaC43H87NaO8Si2
Molecular Weight811.32 g/mol
Exact Mass810.58
IUPAC Namesodium;tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;hydroxide
SMILESCC(/C=C\[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@H]1CCO.CCC[C@@H]1OC(C)(C)O[C@@H]1C(C)/C=C\[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C.[Na+].[OH-]
InChIInChI=1S/C22H44O3Si.C21H42O4Si.Na.H2O/c1-12-13-19-20(24-22(8,9)23-19)17(3)15-14-16(2)18(4)25-26(10,11)21(5,6)7;1-15(17(3)25-26(9,10)20(4,5)6)11-12-16(2)19-18(13-14-22)23-21(7,8)24-19;;/h14-20H,12-13H2,1-11H3;11-12,15-19,22H,13-14H2,1-10H3;;1H2/q;;+1;/p-1/b15-14-;12-11-;;/t16-,17?,18+,19+,20-;15-,16?,17+,18+,19-;;/m11../s1
InChIKeyKNWPKLQYBJRNOD-LGVYOEEBSA-M
XLogP8.50
TPSA105.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.32
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze sodium;tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;hydroxide?
The IUPAC name of sodium;tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;hydroxide (CID 159189297) is sodium;tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;hydroxide.
What is the SMILES notation for sodium;tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;hydroxide?
The canonical SMILES for sodium;tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;hydroxide is CC(/C=C\[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@H]1CCO.CCC[C@@H]1OC(C)(C)O[C@@H]1C(C)/C=C\[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C.[Na+].[OH-].
What is the InChIKey of sodium;tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;hydroxide?
The InChIKey is KNWPKLQYBJRNOD-LGVYOEEBSA-M. The full InChI is InChI=1S/C22H44O3Si.C21H42O4Si.Na.H2O/c1-12-13-19-20(24-22(8,9)23-19)17(3)15-14-16(2)18(4)25-26(10,11)21(5,6)7;1-15(17(3)25-26(9,10)20(4,5)6)11-12-16(2)19-18(13-14-22)23-21(7,8)24-19;;/h14-20H,12-13H2,1-11H3;11-12,15-19,22H,13-14H2,1-10H3;;1H2/q;;+1;/p-1/b15-14-;12-11-;;/t16-,17?,18+,19+,20-;15-,16?,17+,18+,19-;;/m11../s1.
What are the key properties of sodium;tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;hydroxide?
sodium;tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;hydroxide has a molecular weight of 811.32 g/mol, XLogP of 8.50, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol;hydroxide is sourced from PubChem (CID 159189297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).