triethyl(4-phenylbut-3-enyl)silane

C16H26Si — CID 85256276

IUPACtriethyl(4-phenylbut-3-enyl)silane
SMILESCC[Si](CC)(CC)CCC=Cc1ccccc1
InChIInChI=1S/C16H26Si/c1-4-17(5-2,6-3)15-11-10-14-16-12-8-7-9-13-16/h7-10,12-14H,4-6,11,15H2,1-3H3
InChIKeyBLPZAQCMIGBEQO-UHFFFAOYSA-N
MW246.47 g/mol
LogP5.60
Rot. Bonds7

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

triethyl(4-phenylbut-3-enyl)silane (PubChem CID 85256276) has the molecular formula C16H26Si and a molecular weight of 246.47 g/mol. Its IUPAC name is triethyl(4-phenylbut-3-enyl)silane.

Molecular Properties

Compound Nametriethyl(4-phenylbut-3-enyl)silane
PubChem CID85256276
Molecular FormulaC16H26Si
Molecular Weight246.47 g/mol
Exact Mass246.18
IUPAC Nametriethyl(4-phenylbut-3-enyl)silane
SMILESCC[Si](CC)(CC)CCC=Cc1ccccc1
InChIInChI=1S/C16H26Si/c1-4-17(5-2,6-3)15-11-10-14-16-12-8-7-9-13-16/h7-10,12-14H,4-6,11,15H2,1-3H3
InChIKeyBLPZAQCMIGBEQO-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.47
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 triethyl(4-phenylbut-3-enyl)silane?
The IUPAC name of triethyl(4-phenylbut-3-enyl)silane (CID 85256276) is triethyl(4-phenylbut-3-enyl)silane.
What is the SMILES notation for triethyl(4-phenylbut-3-enyl)silane?
The canonical SMILES for triethyl(4-phenylbut-3-enyl)silane is CC[Si](CC)(CC)CCC=Cc1ccccc1.
What is the InChIKey of triethyl(4-phenylbut-3-enyl)silane?
The InChIKey is BLPZAQCMIGBEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26Si/c1-4-17(5-2,6-3)15-11-10-14-16-12-8-7-9-13-16/h7-10,12-14H,4-6,11,15H2,1-3H3.
What are the key properties of triethyl(4-phenylbut-3-enyl)silane?
triethyl(4-phenylbut-3-enyl)silane has a molecular weight of 246.47 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(4-phenylbut-3-enyl)silane is sourced from PubChem (CID 85256276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).