tert-butyl-[[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

C25H54O4Si2 — CID 135020649

IUPACtert-butyl-[[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESC[C@@H](CCCCC[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O4Si2/c1-20(29-31(12,13)24(5,6)7)17-15-14-16-18-21-22(28-25(8,9)27-21)19-26-30(10,11)23(2,3)4/h20-22H,14-19H2,1-13H3/t20-,21+,22-/m0/s1
InChIKeyBIARZBLINNZSFU-BDTNDASRSA-N
MW474.88 g/mol
LogP7.89
Rot. Bonds11

About tert-butyl-[[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (PubChem CID 135020649) has the molecular formula C25H54O4Si2 and a molecular weight of 474.88 g/mol. Its IUPAC name is tert-butyl-[[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
PubChem CID135020649
Molecular FormulaC25H54O4Si2
Molecular Weight474.88 g/mol
Exact Mass474.36
IUPAC Nametert-butyl-[[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESC[C@@H](CCCCC[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O4Si2/c1-20(29-31(12,13)24(5,6)7)17-15-14-16-18-21-22(28-25(8,9)27-21)19-26-30(10,11)23(2,3)4/h20-22H,14-19H2,1-13H3/t20-,21+,22-/m0/s1
InChIKeyBIARZBLINNZSFU-BDTNDASRSA-N
XLogP7.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.88
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (CID 135020649) is tert-butyl-[[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is C[C@@H](CCCCC[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The InChIKey is BIARZBLINNZSFU-BDTNDASRSA-N. The full InChI is InChI=1S/C25H54O4Si2/c1-20(29-31(12,13)24(5,6)7)17-15-14-16-18-21-22(28-25(8,9)27-21)19-26-30(10,11)23(2,3)4/h20-22H,14-19H2,1-13H3/t20-,21+,22-/m0/s1.
What are the key properties of tert-butyl-[[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane has a molecular weight of 474.88 g/mol, XLogP of 7.89, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 135020649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).