2-tri(propan-2-yl)silylethenone

C11H22OSi — CID 5325347

IUPAC2-tri(propan-2-yl)silylethenone
SMILESCC(C)[Si](C=C=O)(C(C)C)C(C)C
InChIInChI=1S/C11H22OSi/c1-9(2)13(8-7-12,10(3)4)11(5)6/h8-11H,1-6H3
InChIKeyDBWXXURJUBFARB-UHFFFAOYSA-N
MW198.38 g/mol
LogP3.59
Rot. Bonds4

About 2-tri(propan-2-yl)silylethenone

2-tri(propan-2-yl)silylethenone (PubChem CID 5325347) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 2-tri(propan-2-yl)silylethenone.

Molecular Properties

Compound Name2-tri(propan-2-yl)silylethenone
PubChem CID5325347
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name2-tri(propan-2-yl)silylethenone
SMILESCC(C)[Si](C=C=O)(C(C)C)C(C)C
InChIInChI=1S/C11H22OSi/c1-9(2)13(8-7-12,10(3)4)11(5)6/h8-11H,1-6H3
InChIKeyDBWXXURJUBFARB-UHFFFAOYSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tri(propan-2-yl)silylethenone?
The IUPAC name of 2-tri(propan-2-yl)silylethenone (CID 5325347) is 2-tri(propan-2-yl)silylethenone.
What is the SMILES notation for 2-tri(propan-2-yl)silylethenone?
The canonical SMILES for 2-tri(propan-2-yl)silylethenone is CC(C)[Si](C=C=O)(C(C)C)C(C)C.
What is the InChIKey of 2-tri(propan-2-yl)silylethenone?
The InChIKey is DBWXXURJUBFARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-9(2)13(8-7-12,10(3)4)11(5)6/h8-11H,1-6H3.
What are the key properties of 2-tri(propan-2-yl)silylethenone?
2-tri(propan-2-yl)silylethenone has a molecular weight of 198.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tri(propan-2-yl)silylethenone is sourced from PubChem (CID 5325347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).