1-silyl-2,3-dimethyl-2-butene

C6H11Si — CID 23167394

IUPAC—
SMILESCC(C)=C(C)C[Si]
InChIInChI=1S/C6H11Si/c1-5(2)6(3)4-7/h4H2,1-3H3
InChIKeyHKAVOXJGZUOHOP-UHFFFAOYSA-N
MW111.24 g/mol
LogP1.93
Rot. Bonds1

About 1-silyl-2,3-dimethyl-2-butene

1-silyl-2,3-dimethyl-2-butene (PubChem CID 23167394) has the molecular formula C6H11Si and a molecular weight of 111.24 g/mol.

Molecular Properties

Compound Name1-silyl-2,3-dimethyl-2-butene
PubChem CID23167394
Molecular FormulaC6H11Si
Molecular Weight111.24 g/mol
Exact Mass111.06
IUPAC Name—
SMILESCC(C)=C(C)C[Si]
InChIInChI=1S/C6H11Si/c1-5(2)6(3)4-7/h4H2,1-3H3
InChIKeyHKAVOXJGZUOHOP-UHFFFAOYSA-N
XLogP1.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-silyl-2,3-dimethyl-2-butene?
The IUPAC name of 1-silyl-2,3-dimethyl-2-butene (CID 23167394) is not available.
What is the SMILES notation for 1-silyl-2,3-dimethyl-2-butene?
The canonical SMILES for 1-silyl-2,3-dimethyl-2-butene is CC(C)=C(C)C[Si].
What is the InChIKey of 1-silyl-2,3-dimethyl-2-butene?
The InChIKey is HKAVOXJGZUOHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Si/c1-5(2)6(3)4-7/h4H2,1-3H3.
What are the key properties of 1-silyl-2,3-dimethyl-2-butene?
1-silyl-2,3-dimethyl-2-butene has a molecular weight of 111.24 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-silyl-2,3-dimethyl-2-butene is sourced from PubChem (CID 23167394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).