2-tri(propan-2-yl)silylbuta-1,3-dien-1-one

C13H24OSi — CID 90893659

IUPAC2-tri(propan-2-yl)silylbuta-1,3-dien-1-one
SMILESC=CC(=C=O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H24OSi/c1-8-13(9-14)15(10(2)3,11(4)5)12(6)7/h8,10-12H,1H2,2-7H3
InChIKeyUPPKXWSLDWNABM-UHFFFAOYSA-N
MW224.42 g/mol
LogP4.15
Rot. Bonds5

About 2-tri(propan-2-yl)silylbuta-1,3-dien-1-one

2-tri(propan-2-yl)silylbuta-1,3-dien-1-one (PubChem CID 90893659) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is 2-tri(propan-2-yl)silylbuta-1,3-dien-1-one.

Molecular Properties

Compound Name2-tri(propan-2-yl)silylbuta-1,3-dien-1-one
PubChem CID90893659
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name2-tri(propan-2-yl)silylbuta-1,3-dien-1-one
SMILESC=CC(=C=O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H24OSi/c1-8-13(9-14)15(10(2)3,11(4)5)12(6)7/h8,10-12H,1H2,2-7H3
InChIKeyUPPKXWSLDWNABM-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 54.15
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Ethenone, [tris(1-methylethyl)silyl]-
CID 5325347
1-[Tert-butyl(dimethyl)silyl]prop-2-en-1-one
CID 11252261
(3E)-2,3-bis(trimethylsilyl)penta-1,3-dien-1-one
CID 10799292
2,3-Bis(trimethylsilyl)penta-1,3,4-trien-1-one
CID 15273820
2-Trimethylsilylbuta-1,3-dien-1-one
CID 12675620
2-Tri(propan-2-yl)silylprop-1-en-1-one
CID 14451165
1-Triethylsilylprop-2-en-1-one
CID 15723080
(3E)-2-tri(propan-2-yl)silylpenta-1,3-dien-1-one
CID 101231318
2-Trimethylsilylbuta-1,3-diene-1,4-dione
CID 134893304
2,3,5-Tris(trimethylsilyl)penta-1,3,4-trien-1-one
CID 15273819
1-Propen-1-one, 3-(trimethylsilyl)-
CID 10248545
4-(Trimethylsilyl)buta-1,3-dien-1-one
CID 53427574

Frequently Asked Questions

What is the IUPAC name of 2-tri(propan-2-yl)silylbuta-1,3-dien-1-one?
The IUPAC name of 2-tri(propan-2-yl)silylbuta-1,3-dien-1-one (CID 90893659) is 2-tri(propan-2-yl)silylbuta-1,3-dien-1-one.
What is the SMILES notation for 2-tri(propan-2-yl)silylbuta-1,3-dien-1-one?
The canonical SMILES for 2-tri(propan-2-yl)silylbuta-1,3-dien-1-one is C=CC(=C=O)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-tri(propan-2-yl)silylbuta-1,3-dien-1-one?
The InChIKey is UPPKXWSLDWNABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-8-13(9-14)15(10(2)3,11(4)5)12(6)7/h8,10-12H,1H2,2-7H3.
What are the key properties of 2-tri(propan-2-yl)silylbuta-1,3-dien-1-one?
2-tri(propan-2-yl)silylbuta-1,3-dien-1-one has a molecular weight of 224.42 g/mol, XLogP of 4.15, 5 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)silylbuta-1,3-dien-1-one is sourced from PubChem (CID 90893659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).