[dimethyl(propan-2-yl)silyl]-[ethylsulfanyl(phenyl)methoxy]-dimethylsilane

C16H30OSSi2 — CID 134937681

IUPAC[dimethyl(propan-2-yl)silyl]-[ethylsulfanyl(phenyl)methoxy]-dimethylsilane
SMILESCCSC(O[Si](C)(C)[Si](C)(C)C(C)C)c1ccccc1
InChIInChI=1S/C16H30OSSi2/c1-8-18-16(15-12-10-9-11-13-15)17-20(6,7)19(4,5)14(2)3/h9-14,16H,8H2,1-7H3
InChIKeyXXWYKRKCXWJUQA-UHFFFAOYSA-N
MW326.65 g/mol
LogP5.86
Rot. Bonds7

About [dimethyl(propan-2-yl)silyl]-[ethylsulfanyl(phenyl)methoxy]-dimethylsilane

[dimethyl(propan-2-yl)silyl]-[ethylsulfanyl(phenyl)methoxy]-dimethylsilane (PubChem CID 134937681) has the molecular formula C16H30OSSi2 and a molecular weight of 326.65 g/mol. Its IUPAC name is [dimethyl(propan-2-yl)silyl]-[ethylsulfanyl(phenyl)methoxy]-dimethylsilane.

Molecular Properties

Compound Name[dimethyl(propan-2-yl)silyl]-[ethylsulfanyl(phenyl)methoxy]-dimethylsilane
PubChem CID134937681
Molecular FormulaC16H30OSSi2
Molecular Weight326.65 g/mol
Exact Mass326.16
IUPAC Name[dimethyl(propan-2-yl)silyl]-[ethylsulfanyl(phenyl)methoxy]-dimethylsilane
SMILESCCSC(O[Si](C)(C)[Si](C)(C)C(C)C)c1ccccc1
InChIInChI=1S/C16H30OSSi2/c1-8-18-16(15-12-10-9-11-13-15)17-20(6,7)19(4,5)14(2)3/h9-14,16H,8H2,1-7H3
InChIKeyXXWYKRKCXWJUQA-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.65
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [dimethyl(propan-2-yl)silyl]-[ethylsulfanyl(phenyl)methoxy]-dimethylsilane?
The IUPAC name of [dimethyl(propan-2-yl)silyl]-[ethylsulfanyl(phenyl)methoxy]-dimethylsilane (CID 134937681) is [dimethyl(propan-2-yl)silyl]-[ethylsulfanyl(phenyl)methoxy]-dimethylsilane.
What is the SMILES notation for [dimethyl(propan-2-yl)silyl]-[ethylsulfanyl(phenyl)methoxy]-dimethylsilane?
The canonical SMILES for [dimethyl(propan-2-yl)silyl]-[ethylsulfanyl(phenyl)methoxy]-dimethylsilane is CCSC(O[Si](C)(C)[Si](C)(C)C(C)C)c1ccccc1.
What is the InChIKey of [dimethyl(propan-2-yl)silyl]-[ethylsulfanyl(phenyl)methoxy]-dimethylsilane?
The InChIKey is XXWYKRKCXWJUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSSi2/c1-8-18-16(15-12-10-9-11-13-15)17-20(6,7)19(4,5)14(2)3/h9-14,16H,8H2,1-7H3.
What are the key properties of [dimethyl(propan-2-yl)silyl]-[ethylsulfanyl(phenyl)methoxy]-dimethylsilane?
[dimethyl(propan-2-yl)silyl]-[ethylsulfanyl(phenyl)methoxy]-dimethylsilane has a molecular weight of 326.65 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(propan-2-yl)silyl]-[ethylsulfanyl(phenyl)methoxy]-dimethylsilane is sourced from PubChem (CID 134937681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).