tert-butyl-[(1R)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]tridecoxy]-dimethylsilane

C34H70O3Si2 — CID 25108189

IUPACtert-butyl-[(1R)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]tridecoxy]-dimethylsilane
SMILESC=CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@@H](CCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C34H70O3Si2/c1-13-15-17-18-19-20-21-22-23-24-26-32(37-39(11,12)34(6,7)8)30-28-27-29(35-30)31(25-16-14-2)36-38(9,10)33(3,4)5/h14,29-32H,2,13,15-28H2,1,3-12H3/t29-,30-,31-,32-/m1/s1
InChIKeyHCORZPVIZQNXOQ-SEVDZJIVSA-N
MW583.10 g/mol
LogP11.59
Rot. Bonds20

About tert-butyl-[(1R)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]tridecoxy]-dimethylsilane

tert-butyl-[(1R)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]tridecoxy]-dimethylsilane (PubChem CID 25108189) has the molecular formula C34H70O3Si2 and a molecular weight of 583.10 g/mol. Its IUPAC name is tert-butyl-[(1R)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]tridecoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]tridecoxy]-dimethylsilane
PubChem CID25108189
Molecular FormulaC34H70O3Si2
Molecular Weight583.10 g/mol
Exact Mass582.49
IUPAC Nametert-butyl-[(1R)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]tridecoxy]-dimethylsilane
SMILESC=CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@@H](CCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C34H70O3Si2/c1-13-15-17-18-19-20-21-22-23-24-26-32(37-39(11,12)34(6,7)8)30-28-27-29(35-30)31(25-16-14-2)36-38(9,10)33(3,4)5/h14,29-32H,2,13,15-28H2,1,3-12H3/t29-,30-,31-,32-/m1/s1
InChIKeyHCORZPVIZQNXOQ-SEVDZJIVSA-N
XLogP11.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.10
LogP ≤ 511.59
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'}

Analyze tert-butyl-[(1R)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]tridecoxy]-dimethylsilane 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-[(1R)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]tridecoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]tridecoxy]-dimethylsilane (CID 25108189) is tert-butyl-[(1R)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]tridecoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]tridecoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]tridecoxy]-dimethylsilane is C=CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@@H](CCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[(1R)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]tridecoxy]-dimethylsilane?
The InChIKey is HCORZPVIZQNXOQ-SEVDZJIVSA-N. The full InChI is InChI=1S/C34H70O3Si2/c1-13-15-17-18-19-20-21-22-23-24-26-32(37-39(11,12)34(6,7)8)30-28-27-29(35-30)31(25-16-14-2)36-38(9,10)33(3,4)5/h14,29-32H,2,13,15-28H2,1,3-12H3/t29-,30-,31-,32-/m1/s1.
What are the key properties of tert-butyl-[(1R)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]tridecoxy]-dimethylsilane?
tert-butyl-[(1R)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]tridecoxy]-dimethylsilane has a molecular weight of 583.10 g/mol, XLogP of 11.59, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]tridecoxy]-dimethylsilane is sourced from PubChem (CID 25108189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).