2-methyl-1-tri(propan-2-yloxy)silylprop-2-en-1-one

C13H26O4Si — CID 89415253

IUPAC2-methyl-1-tri(propan-2-yloxy)silylprop-2-en-1-one
SMILESC=C(C)C(=O)[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C13H26O4Si/c1-9(2)13(14)18(15-10(3)4,16-11(5)6)17-12(7)8/h10-12H,1H2,2-8H3
InChIKeySAJBQPSHPCBOJI-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.88
Rot. Bonds8

About 2-methyl-1-tri(propan-2-yloxy)silylprop-2-en-1-one

2-methyl-1-tri(propan-2-yloxy)silylprop-2-en-1-one (PubChem CID 89415253) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-methyl-1-tri(propan-2-yloxy)silylprop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-tri(propan-2-yloxy)silylprop-2-en-1-one
PubChem CID89415253
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name2-methyl-1-tri(propan-2-yloxy)silylprop-2-en-1-one
SMILESC=C(C)C(=O)[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C13H26O4Si/c1-9(2)13(14)18(15-10(3)4,16-11(5)6)17-12(7)8/h10-12H,1H2,2-8H3
InChIKeySAJBQPSHPCBOJI-UHFFFAOYSA-N
XLogP2.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-tri(propan-2-yloxy)silylprop-2-en-1-one?
The IUPAC name of 2-methyl-1-tri(propan-2-yloxy)silylprop-2-en-1-one (CID 89415253) is 2-methyl-1-tri(propan-2-yloxy)silylprop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-tri(propan-2-yloxy)silylprop-2-en-1-one?
The canonical SMILES for 2-methyl-1-tri(propan-2-yloxy)silylprop-2-en-1-one is C=C(C)C(=O)[Si](OC(C)C)(OC(C)C)OC(C)C.
What is the InChIKey of 2-methyl-1-tri(propan-2-yloxy)silylprop-2-en-1-one?
The InChIKey is SAJBQPSHPCBOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-9(2)13(14)18(15-10(3)4,16-11(5)6)17-12(7)8/h10-12H,1H2,2-8H3.
What are the key properties of 2-methyl-1-tri(propan-2-yloxy)silylprop-2-en-1-one?
2-methyl-1-tri(propan-2-yloxy)silylprop-2-en-1-one has a molecular weight of 274.43 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-tri(propan-2-yloxy)silylprop-2-en-1-one is sourced from PubChem (CID 89415253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).