1,1-ditert-butyl-2-prop-1-en-2-ylsilirane

C13H26Si — CID 14936707

IUPAC1,1-ditert-butyl-2-prop-1-en-2-ylsilirane
SMILESC=C(C)C1C[Si]1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H26Si/c1-10(2)11-9-14(11,12(3,4)5)13(6,7)8/h11H,1,9H2,2-8H3
InChIKeyNRGTZYJLCKMWJJ-UHFFFAOYSA-N
MW210.44 g/mol
LogP5.00
Rot. Bonds1

About 1,1-ditert-butyl-2-prop-1-en-2-ylsilirane

1,1-ditert-butyl-2-prop-1-en-2-ylsilirane (PubChem CID 14936707) has the molecular formula C13H26Si and a molecular weight of 210.44 g/mol. Its IUPAC name is 1,1-ditert-butyl-2-prop-1-en-2-ylsilirane.

Molecular Properties

Compound Name1,1-ditert-butyl-2-prop-1-en-2-ylsilirane
PubChem CID14936707
Molecular FormulaC13H26Si
Molecular Weight210.44 g/mol
Exact Mass210.18
IUPAC Name1,1-ditert-butyl-2-prop-1-en-2-ylsilirane
SMILESC=C(C)C1C[Si]1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H26Si/c1-10(2)11-9-14(11,12(3,4)5)13(6,7)8/h11H,1,9H2,2-8H3
InChIKeyNRGTZYJLCKMWJJ-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.44
LogP ≤ 55.00
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 1,1-ditert-butyl-2-prop-1-en-2-ylsilirane?
The IUPAC name of 1,1-ditert-butyl-2-prop-1-en-2-ylsilirane (CID 14936707) is 1,1-ditert-butyl-2-prop-1-en-2-ylsilirane.
What is the SMILES notation for 1,1-ditert-butyl-2-prop-1-en-2-ylsilirane?
The canonical SMILES for 1,1-ditert-butyl-2-prop-1-en-2-ylsilirane is C=C(C)C1C[Si]1(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1,1-ditert-butyl-2-prop-1-en-2-ylsilirane?
The InChIKey is NRGTZYJLCKMWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26Si/c1-10(2)11-9-14(11,12(3,4)5)13(6,7)8/h11H,1,9H2,2-8H3.
What are the key properties of 1,1-ditert-butyl-2-prop-1-en-2-ylsilirane?
1,1-ditert-butyl-2-prop-1-en-2-ylsilirane has a molecular weight of 210.44 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-ditert-butyl-2-prop-1-en-2-ylsilirane is sourced from PubChem (CID 14936707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).