3-[(E)-but-2-en-2-yl]-1,1-dichloro-2-ethyl-4-methyl-2H-silete

C10H16Cl2Si — CID 54548388

IUPAC3-[(E)-but-2-en-2-yl]-1,1-dichloro-2-ethyl-4-methyl-2H-silete
SMILESC/C=C(\C)C1=C(C)[Si](Cl)(Cl)C1CC
InChIInChI=1S/C10H16Cl2Si/c1-5-7(3)10-8(4)13(11,12)9(10)6-2/h5,9H,6H2,1-4H3/b7-5+
InChIKeyZIEHBPFJIZUDRG-FNORWQNLSA-N
MW235.23 g/mol
LogP4.52
Rot. Bonds2

About 3-[(E)-but-2-en-2-yl]-1,1-dichloro-2-ethyl-4-methyl-2H-silete

3-[(E)-but-2-en-2-yl]-1,1-dichloro-2-ethyl-4-methyl-2H-silete (PubChem CID 54548388) has the molecular formula C10H16Cl2Si and a molecular weight of 235.23 g/mol. Its IUPAC name is 3-[(E)-but-2-en-2-yl]-1,1-dichloro-2-ethyl-4-methyl-2H-silete.

Molecular Properties

Compound Name3-[(E)-but-2-en-2-yl]-1,1-dichloro-2-ethyl-4-methyl-2H-silete
PubChem CID54548388
Molecular FormulaC10H16Cl2Si
Molecular Weight235.23 g/mol
Exact Mass234.04
IUPAC Name3-[(E)-but-2-en-2-yl]-1,1-dichloro-2-ethyl-4-methyl-2H-silete
SMILESC/C=C(\C)C1=C(C)[Si](Cl)(Cl)C1CC
InChIInChI=1S/C10H16Cl2Si/c1-5-7(3)10-8(4)13(11,12)9(10)6-2/h5,9H,6H2,1-4H3/b7-5+
InChIKeyZIEHBPFJIZUDRG-FNORWQNLSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-2-en-2-yl]-1,1-dichloro-2-ethyl-4-methyl-2H-silete?
The IUPAC name of 3-[(E)-but-2-en-2-yl]-1,1-dichloro-2-ethyl-4-methyl-2H-silete (CID 54548388) is 3-[(E)-but-2-en-2-yl]-1,1-dichloro-2-ethyl-4-methyl-2H-silete.
What is the SMILES notation for 3-[(E)-but-2-en-2-yl]-1,1-dichloro-2-ethyl-4-methyl-2H-silete?
The canonical SMILES for 3-[(E)-but-2-en-2-yl]-1,1-dichloro-2-ethyl-4-methyl-2H-silete is C/C=C(\C)C1=C(C)[Si](Cl)(Cl)C1CC.
What is the InChIKey of 3-[(E)-but-2-en-2-yl]-1,1-dichloro-2-ethyl-4-methyl-2H-silete?
The InChIKey is ZIEHBPFJIZUDRG-FNORWQNLSA-N. The full InChI is InChI=1S/C10H16Cl2Si/c1-5-7(3)10-8(4)13(11,12)9(10)6-2/h5,9H,6H2,1-4H3/b7-5+.
What are the key properties of 3-[(E)-but-2-en-2-yl]-1,1-dichloro-2-ethyl-4-methyl-2H-silete?
3-[(E)-but-2-en-2-yl]-1,1-dichloro-2-ethyl-4-methyl-2H-silete has a molecular weight of 235.23 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-en-2-yl]-1,1-dichloro-2-ethyl-4-methyl-2H-silete is sourced from PubChem (CID 54548388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).