tert-butyl-[4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-yloxy]-dimethylsilane

C28H38O3Si — CID 11430859

IUPACtert-butyl-[4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-yloxy]-dimethylsilane
SMILESC=CCC(CC=C)(O[Si](C)(C)C(C)(C)C)C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C28H38O3Si/c1-8-20-28(21-9-2,31-32(6,7)27(3,4)5)26-29-24(22-16-12-10-13-17-22)25(30-26)23-18-14-11-15-19-23/h8-19,24-26H,1-2,20-21H2,3-7H3/t24-,25-/m1/s1
InChIKeyZSUJZFSHJOSXEQ-JWQCQUIFSA-N
MW450.70 g/mol
LogP7.75
Rot. Bonds9

About tert-butyl-[4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-yloxy]-dimethylsilane

tert-butyl-[4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-yloxy]-dimethylsilane (PubChem CID 11430859) has the molecular formula C28H38O3Si and a molecular weight of 450.70 g/mol. Its IUPAC name is tert-butyl-[4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-yloxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-yloxy]-dimethylsilane
PubChem CID11430859
Molecular FormulaC28H38O3Si
Molecular Weight450.70 g/mol
Exact Mass450.26
IUPAC Nametert-butyl-[4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-yloxy]-dimethylsilane
SMILESC=CCC(CC=C)(O[Si](C)(C)C(C)(C)C)C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C28H38O3Si/c1-8-20-28(21-9-2,31-32(6,7)27(3,4)5)26-29-24(22-16-12-10-13-17-22)25(30-26)23-18-14-11-15-19-23/h8-19,24-26H,1-2,20-21H2,3-7H3/t24-,25-/m1/s1
InChIKeyZSUJZFSHJOSXEQ-JWQCQUIFSA-N
XLogP7.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.70
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-yloxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-yloxy]-dimethylsilane (CID 11430859) is tert-butyl-[4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-yloxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-yloxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-yloxy]-dimethylsilane is C=CCC(CC=C)(O[Si](C)(C)C(C)(C)C)C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1.
What is the InChIKey of tert-butyl-[4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-yloxy]-dimethylsilane?
The InChIKey is ZSUJZFSHJOSXEQ-JWQCQUIFSA-N. The full InChI is InChI=1S/C28H38O3Si/c1-8-20-28(21-9-2,31-32(6,7)27(3,4)5)26-29-24(22-16-12-10-13-17-22)25(30-26)23-18-14-11-15-19-23/h8-19,24-26H,1-2,20-21H2,3-7H3/t24-,25-/m1/s1.
What are the key properties of tert-butyl-[4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-yloxy]-dimethylsilane?
tert-butyl-[4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-yloxy]-dimethylsilane has a molecular weight of 450.70 g/mol, XLogP of 7.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-yloxy]-dimethylsilane is sourced from PubChem (CID 11430859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).