1-methoxysilyl-3-methylbut-3-en-2-one

C6H12O2Si — CID 123170561

IUPAC1-methoxysilyl-3-methylbut-3-en-2-one
SMILESC=C(C)C(=O)C[SiH2]OC
InChIInChI=1S/C6H12O2Si/c1-5(2)6(7)4-9-8-3/h1,4,9H2,2-3H3
InChIKeyAJAZCQUYAQWGLL-UHFFFAOYSA-N
MW144.25 g/mol
LogP0.28
Rot. Bonds4

About 1-methoxysilyl-3-methylbut-3-en-2-one

1-methoxysilyl-3-methylbut-3-en-2-one (PubChem CID 123170561) has the molecular formula C6H12O2Si and a molecular weight of 144.25 g/mol. Its IUPAC name is 1-methoxysilyl-3-methylbut-3-en-2-one.

Molecular Properties

Compound Name1-methoxysilyl-3-methylbut-3-en-2-one
PubChem CID123170561
Molecular FormulaC6H12O2Si
Molecular Weight144.25 g/mol
Exact Mass144.06
IUPAC Name1-methoxysilyl-3-methylbut-3-en-2-one
SMILESC=C(C)C(=O)C[SiH2]OC
InChIInChI=1S/C6H12O2Si/c1-5(2)6(7)4-9-8-3/h1,4,9H2,2-3H3
InChIKeyAJAZCQUYAQWGLL-UHFFFAOYSA-N
XLogP0.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.25
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-methoxysilyl-3-methylbut-3-en-2-one?
The IUPAC name of 1-methoxysilyl-3-methylbut-3-en-2-one (CID 123170561) is 1-methoxysilyl-3-methylbut-3-en-2-one.
What is the SMILES notation for 1-methoxysilyl-3-methylbut-3-en-2-one?
The canonical SMILES for 1-methoxysilyl-3-methylbut-3-en-2-one is C=C(C)C(=O)C[SiH2]OC.
What is the InChIKey of 1-methoxysilyl-3-methylbut-3-en-2-one?
The InChIKey is AJAZCQUYAQWGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2Si/c1-5(2)6(7)4-9-8-3/h1,4,9H2,2-3H3.
What are the key properties of 1-methoxysilyl-3-methylbut-3-en-2-one?
1-methoxysilyl-3-methylbut-3-en-2-one has a molecular weight of 144.25 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxysilyl-3-methylbut-3-en-2-one is sourced from PubChem (CID 123170561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).