(E)-2-[dimethyl(phenyl)silyl]-4-phenylbut-3-en-1-ol

C18H22OSi — CID 11822118

IUPAC(E)-2-[dimethyl(phenyl)silyl]-4-phenylbut-3-en-1-ol
SMILESC[Si](C)(c1ccccc1)C(/C=C/c1ccccc1)CO
InChIInChI=1S/C18H22OSi/c1-20(2,17-11-7-4-8-12-17)18(15-19)14-13-16-9-5-3-6-10-16/h3-14,18-19H,15H2,1-2H3/b14-13+
InChIKeyVUTIWHKPGGYXPX-BUHFOSPRSA-N
MW282.46 g/mol
LogP3.68
Rot. Bonds5

About (E)-2-[dimethyl(phenyl)silyl]-4-phenylbut-3-en-1-ol

(E)-2-[dimethyl(phenyl)silyl]-4-phenylbut-3-en-1-ol (PubChem CID 11822118) has the molecular formula C18H22OSi and a molecular weight of 282.46 g/mol. Its IUPAC name is (E)-2-[dimethyl(phenyl)silyl]-4-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-2-[dimethyl(phenyl)silyl]-4-phenylbut-3-en-1-ol
PubChem CID11822118
Molecular FormulaC18H22OSi
Molecular Weight282.46 g/mol
Exact Mass282.14
IUPAC Name(E)-2-[dimethyl(phenyl)silyl]-4-phenylbut-3-en-1-ol
SMILESC[Si](C)(c1ccccc1)C(/C=C/c1ccccc1)CO
InChIInChI=1S/C18H22OSi/c1-20(2,17-11-7-4-8-12-17)18(15-19)14-13-16-9-5-3-6-10-16/h3-14,18-19H,15H2,1-2H3/b14-13+
InChIKeyVUTIWHKPGGYXPX-BUHFOSPRSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
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)-2-[dimethyl(phenyl)silyl]-4-phenylbut-3-en-1-ol?
The IUPAC name of (E)-2-[dimethyl(phenyl)silyl]-4-phenylbut-3-en-1-ol (CID 11822118) is (E)-2-[dimethyl(phenyl)silyl]-4-phenylbut-3-en-1-ol.
What is the SMILES notation for (E)-2-[dimethyl(phenyl)silyl]-4-phenylbut-3-en-1-ol?
The canonical SMILES for (E)-2-[dimethyl(phenyl)silyl]-4-phenylbut-3-en-1-ol is C[Si](C)(c1ccccc1)C(/C=C/c1ccccc1)CO.
What is the InChIKey of (E)-2-[dimethyl(phenyl)silyl]-4-phenylbut-3-en-1-ol?
The InChIKey is VUTIWHKPGGYXPX-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H22OSi/c1-20(2,17-11-7-4-8-12-17)18(15-19)14-13-16-9-5-3-6-10-16/h3-14,18-19H,15H2,1-2H3/b14-13+.
What are the key properties of (E)-2-[dimethyl(phenyl)silyl]-4-phenylbut-3-en-1-ol?
(E)-2-[dimethyl(phenyl)silyl]-4-phenylbut-3-en-1-ol has a molecular weight of 282.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[dimethyl(phenyl)silyl]-4-phenylbut-3-en-1-ol is sourced from PubChem (CID 11822118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).