tert-butyl-[(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynoxy]-dimethylsilane;ethane

C31H66O3Si3 — CID 90807907

IUPACtert-butyl-[(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynoxy]-dimethylsilane;ethane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCO[Si](C)(C)C(C)(C)C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C.CC
InChIInChI=1S/C29H60O3Si3.C2H6/c1-18-21-26(32-35(16,17)29(9,10)11)24(22-20-23-30-33(12,13)27(3,4)5)25(19-2)31-34(14,15)28(6,7)8;1-2/h1,19,24-26H,2,20-23H2,3-17H3;1-2H3/t24-,25-,26-;/m1./s1
InChIKeyLQYVPHLREZFRKK-PRVDTAJYSA-N
MW571.12 g/mol
LogP10.42
Rot. Bonds13

About tert-butyl-[(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynoxy]-dimethylsilane;ethane

tert-butyl-[(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynoxy]-dimethylsilane;ethane (PubChem CID 90807907) has the molecular formula C31H66O3Si3 and a molecular weight of 571.12 g/mol. Its IUPAC name is tert-butyl-[(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynoxy]-dimethylsilane;ethane.

Molecular Properties

Compound Nametert-butyl-[(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynoxy]-dimethylsilane;ethane
PubChem CID90807907
Molecular FormulaC31H66O3Si3
Molecular Weight571.12 g/mol
Exact Mass570.43
IUPAC Nametert-butyl-[(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynoxy]-dimethylsilane;ethane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCO[Si](C)(C)C(C)(C)C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C.CC
InChIInChI=1S/C29H60O3Si3.C2H6/c1-18-21-26(32-35(16,17)29(9,10)11)24(22-20-23-30-33(12,13)27(3,4)5)25(19-2)31-34(14,15)28(6,7)8;1-2/h1,19,24-26H,2,20-23H2,3-17H3;1-2H3/t24-,25-,26-;/m1./s1
InChIKeyLQYVPHLREZFRKK-PRVDTAJYSA-N
XLogP10.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.12
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Analyze tert-butyl-[(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynoxy]-dimethylsilane;ethane 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 tert-butyl-[(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynoxy]-dimethylsilane;ethane?
The IUPAC name of tert-butyl-[(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynoxy]-dimethylsilane;ethane (CID 90807907) is tert-butyl-[(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynoxy]-dimethylsilane;ethane.
What is the SMILES notation for tert-butyl-[(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynoxy]-dimethylsilane;ethane?
The canonical SMILES for tert-butyl-[(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynoxy]-dimethylsilane;ethane is C#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCO[Si](C)(C)C(C)(C)C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C.CC.
What is the InChIKey of tert-butyl-[(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynoxy]-dimethylsilane;ethane?
The InChIKey is LQYVPHLREZFRKK-PRVDTAJYSA-N. The full InChI is InChI=1S/C29H60O3Si3.C2H6/c1-18-21-26(32-35(16,17)29(9,10)11)24(22-20-23-30-33(12,13)27(3,4)5)25(19-2)31-34(14,15)28(6,7)8;1-2/h1,19,24-26H,2,20-23H2,3-17H3;1-2H3/t24-,25-,26-;/m1./s1.
What are the key properties of tert-butyl-[(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynoxy]-dimethylsilane;ethane?
tert-butyl-[(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynoxy]-dimethylsilane;ethane has a molecular weight of 571.12 g/mol, XLogP of 10.42, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynoxy]-dimethylsilane;ethane is sourced from PubChem (CID 90807907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).