6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline

C11H20OSi — CID 135063549

IUPAC6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline
SMILESC/C=C(\C)C1O[Si](C)(C)CC=C1C
InChIInChI=1S/C11H20OSi/c1-6-9(2)11-10(3)7-8-13(4,5)12-11/h6-7,11H,8H2,1-5H3/b9-6+
InChIKeyOOOMJVOVSWRMFV-RMKNXTFCSA-N
MW196.37 g/mol
LogP3.50
Rot. Bonds1

About 6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline

6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline (PubChem CID 135063549) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is 6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline.

Molecular Properties

Compound Name6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline
PubChem CID135063549
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline
SMILESC/C=C(\C)C1O[Si](C)(C)CC=C1C
InChIInChI=1S/C11H20OSi/c1-6-9(2)11-10(3)7-8-13(4,5)12-11/h6-7,11H,8H2,1-5H3/b9-6+
InChIKeyOOOMJVOVSWRMFV-RMKNXTFCSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline?
The IUPAC name of 6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline (CID 135063549) is 6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline.
What is the SMILES notation for 6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline?
The canonical SMILES for 6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline is C/C=C(\C)C1O[Si](C)(C)CC=C1C.
What is the InChIKey of 6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline?
The InChIKey is OOOMJVOVSWRMFV-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H20OSi/c1-6-9(2)11-10(3)7-8-13(4,5)12-11/h6-7,11H,8H2,1-5H3/b9-6+.
What are the key properties of 6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline?
6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline has a molecular weight of 196.37 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline is sourced from PubChem (CID 135063549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).