[(E)-(4,4-dimethyl-1,4-benzoxasilin-3-ylidene)-phenylmethyl]-trimethylsilane

C20H26OSi2 — CID 177454228

IUPAC[(E)-(4,4-dimethyl-1,4-benzoxasilin-3-ylidene)-phenylmethyl]-trimethylsilane
SMILESC[Si](C)(C)/C(=C1\COc2ccccc2[Si]1(C)C)c1ccccc1
InChIInChI=1S/C20H26OSi2/c1-22(2,3)20(16-11-7-6-8-12-16)19-15-21-17-13-9-10-14-18(17)23(19,4)5/h6-14H,15H2,1-5H3/b20-19+
InChIKeyIIIADLSKSACKJH-FMQUCBEESA-N
MW338.60 g/mol
LogP4.86
Rot. Bonds2

About [(E)-(4,4-dimethyl-1,4-benzoxasilin-3-ylidene)-phenylmethyl]-trimethylsilane

[(E)-(4,4-dimethyl-1,4-benzoxasilin-3-ylidene)-phenylmethyl]-trimethylsilane (PubChem CID 177454228) has the molecular formula C20H26OSi2 and a molecular weight of 338.60 g/mol. Its IUPAC name is [(E)-(4,4-dimethyl-1,4-benzoxasilin-3-ylidene)-phenylmethyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-(4,4-dimethyl-1,4-benzoxasilin-3-ylidene)-phenylmethyl]-trimethylsilane
PubChem CID177454228
Molecular FormulaC20H26OSi2
Molecular Weight338.60 g/mol
Exact Mass338.15
IUPAC Name[(E)-(4,4-dimethyl-1,4-benzoxasilin-3-ylidene)-phenylmethyl]-trimethylsilane
SMILESC[Si](C)(C)/C(=C1\COc2ccccc2[Si]1(C)C)c1ccccc1
InChIInChI=1S/C20H26OSi2/c1-22(2,3)20(16-11-7-6-8-12-16)19-15-21-17-13-9-10-14-18(17)23(19,4)5/h6-14H,15H2,1-5H3/b20-19+
InChIKeyIIIADLSKSACKJH-FMQUCBEESA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.60
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-(4,4-dimethyl-1,4-benzoxasilin-3-ylidene)-phenylmethyl]-trimethylsilane?
The IUPAC name of [(E)-(4,4-dimethyl-1,4-benzoxasilin-3-ylidene)-phenylmethyl]-trimethylsilane (CID 177454228) is [(E)-(4,4-dimethyl-1,4-benzoxasilin-3-ylidene)-phenylmethyl]-trimethylsilane.
What is the SMILES notation for [(E)-(4,4-dimethyl-1,4-benzoxasilin-3-ylidene)-phenylmethyl]-trimethylsilane?
The canonical SMILES for [(E)-(4,4-dimethyl-1,4-benzoxasilin-3-ylidene)-phenylmethyl]-trimethylsilane is C[Si](C)(C)/C(=C1\COc2ccccc2[Si]1(C)C)c1ccccc1.
What is the InChIKey of [(E)-(4,4-dimethyl-1,4-benzoxasilin-3-ylidene)-phenylmethyl]-trimethylsilane?
The InChIKey is IIIADLSKSACKJH-FMQUCBEESA-N. The full InChI is InChI=1S/C20H26OSi2/c1-22(2,3)20(16-11-7-6-8-12-16)19-15-21-17-13-9-10-14-18(17)23(19,4)5/h6-14H,15H2,1-5H3/b20-19+.
What are the key properties of [(E)-(4,4-dimethyl-1,4-benzoxasilin-3-ylidene)-phenylmethyl]-trimethylsilane?
[(E)-(4,4-dimethyl-1,4-benzoxasilin-3-ylidene)-phenylmethyl]-trimethylsilane has a molecular weight of 338.60 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4,4-dimethyl-1,4-benzoxasilin-3-ylidene)-phenylmethyl]-trimethylsilane is sourced from PubChem (CID 177454228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).