tert-butyl-[(1R)-1-[ethenyl(phenyl)phosphoryl]ethoxy]-dimethylsilane

C16H27O2PSi — CID 101227507

IUPACtert-butyl-[(1R)-1-[ethenyl(phenyl)phosphoryl]ethoxy]-dimethylsilane
SMILESC=CP(=O)(c1ccccc1)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H27O2PSi/c1-8-19(17,15-12-10-9-11-13-15)14(2)18-20(6,7)16(3,4)5/h8-14H,1H2,2-7H3/t14-,19?/m1/s1
InChIKeySHPBZBUSYWNEEH-MJTSIZKDSA-N
MW310.45 g/mol
LogP5.19
Rot. Bonds5

About tert-butyl-[(1R)-1-[ethenyl(phenyl)phosphoryl]ethoxy]-dimethylsilane

tert-butyl-[(1R)-1-[ethenyl(phenyl)phosphoryl]ethoxy]-dimethylsilane (PubChem CID 101227507) has the molecular formula C16H27O2PSi and a molecular weight of 310.45 g/mol. Its IUPAC name is tert-butyl-[(1R)-1-[ethenyl(phenyl)phosphoryl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-1-[ethenyl(phenyl)phosphoryl]ethoxy]-dimethylsilane
PubChem CID101227507
Molecular FormulaC16H27O2PSi
Molecular Weight310.45 g/mol
Exact Mass310.15
IUPAC Nametert-butyl-[(1R)-1-[ethenyl(phenyl)phosphoryl]ethoxy]-dimethylsilane
SMILESC=CP(=O)(c1ccccc1)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H27O2PSi/c1-8-19(17,15-12-10-9-11-13-15)14(2)18-20(6,7)16(3,4)5/h8-14H,1H2,2-7H3/t14-,19?/m1/s1
InChIKeySHPBZBUSYWNEEH-MJTSIZKDSA-N
XLogP5.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.45
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-1-[ethenyl(phenyl)phosphoryl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R)-1-[ethenyl(phenyl)phosphoryl]ethoxy]-dimethylsilane (CID 101227507) is tert-butyl-[(1R)-1-[ethenyl(phenyl)phosphoryl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R)-1-[ethenyl(phenyl)phosphoryl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R)-1-[ethenyl(phenyl)phosphoryl]ethoxy]-dimethylsilane is C=CP(=O)(c1ccccc1)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R)-1-[ethenyl(phenyl)phosphoryl]ethoxy]-dimethylsilane?
The InChIKey is SHPBZBUSYWNEEH-MJTSIZKDSA-N. The full InChI is InChI=1S/C16H27O2PSi/c1-8-19(17,15-12-10-9-11-13-15)14(2)18-20(6,7)16(3,4)5/h8-14H,1H2,2-7H3/t14-,19?/m1/s1.
What are the key properties of tert-butyl-[(1R)-1-[ethenyl(phenyl)phosphoryl]ethoxy]-dimethylsilane?
tert-butyl-[(1R)-1-[ethenyl(phenyl)phosphoryl]ethoxy]-dimethylsilane has a molecular weight of 310.45 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-1-[ethenyl(phenyl)phosphoryl]ethoxy]-dimethylsilane is sourced from PubChem (CID 101227507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).