trimethoxy(4-phenylbut-3-enyl)silane

C13H20O3Si — CID 53401362

IUPACtrimethoxy(4-phenylbut-3-enyl)silane
SMILESCO[Si](CCC=Cc1ccccc1)(OC)OC
InChIInChI=1S/C13H20O3Si/c1-14-17(15-2,16-3)12-8-7-11-13-9-5-4-6-10-13/h4-7,9-11H,8,12H2,1-3H3
InChIKeySOUMBTQFYKZXPN-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.97
Rot. Bonds7

About trimethoxy(4-phenylbut-3-enyl)silane

trimethoxy(4-phenylbut-3-enyl)silane (PubChem CID 53401362) has the molecular formula C13H20O3Si and a molecular weight of 252.39 g/mol. Its IUPAC name is trimethoxy(4-phenylbut-3-enyl)silane.

Molecular Properties

Compound Nametrimethoxy(4-phenylbut-3-enyl)silane
PubChem CID53401362
Molecular FormulaC13H20O3Si
Molecular Weight252.39 g/mol
Exact Mass252.12
IUPAC Nametrimethoxy(4-phenylbut-3-enyl)silane
SMILESCO[Si](CCC=Cc1ccccc1)(OC)OC
InChIInChI=1S/C13H20O3Si/c1-14-17(15-2,16-3)12-8-7-11-13-9-5-4-6-10-13/h4-7,9-11H,8,12H2,1-3H3
InChIKeySOUMBTQFYKZXPN-UHFFFAOYSA-N
XLogP2.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 trimethoxy(4-phenylbut-3-enyl)silane?
The IUPAC name of trimethoxy(4-phenylbut-3-enyl)silane (CID 53401362) is trimethoxy(4-phenylbut-3-enyl)silane.
What is the SMILES notation for trimethoxy(4-phenylbut-3-enyl)silane?
The canonical SMILES for trimethoxy(4-phenylbut-3-enyl)silane is CO[Si](CCC=Cc1ccccc1)(OC)OC.
What is the InChIKey of trimethoxy(4-phenylbut-3-enyl)silane?
The InChIKey is SOUMBTQFYKZXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3Si/c1-14-17(15-2,16-3)12-8-7-11-13-9-5-4-6-10-13/h4-7,9-11H,8,12H2,1-3H3.
What are the key properties of trimethoxy(4-phenylbut-3-enyl)silane?
trimethoxy(4-phenylbut-3-enyl)silane has a molecular weight of 252.39 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(4-phenylbut-3-enyl)silane is sourced from PubChem (CID 53401362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).