2-methyl-6-trimethoxysilylhex-1-en-3-one

C10H20O4Si — CID 22259494

IUPAC2-methyl-6-trimethoxysilylhex-1-en-3-one
SMILESC=C(C)C(=O)CCC[Si](OC)(OC)OC
InChIInChI=1S/C10H20O4Si/c1-9(2)10(11)7-6-8-15(12-3,13-4)14-5/h1,6-8H2,2-5H3
InChIKeyXYPTZZQGMHILPQ-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.79
Rot. Bonds8

About 2-methyl-6-trimethoxysilylhex-1-en-3-one

2-methyl-6-trimethoxysilylhex-1-en-3-one (PubChem CID 22259494) has the molecular formula C10H20O4Si and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-methyl-6-trimethoxysilylhex-1-en-3-one.

Molecular Properties

Compound Name2-methyl-6-trimethoxysilylhex-1-en-3-one
PubChem CID22259494
Molecular FormulaC10H20O4Si
Molecular Weight232.35 g/mol
Exact Mass232.11
IUPAC Name2-methyl-6-trimethoxysilylhex-1-en-3-one
SMILESC=C(C)C(=O)CCC[Si](OC)(OC)OC
InChIInChI=1S/C10H20O4Si/c1-9(2)10(11)7-6-8-15(12-3,13-4)14-5/h1,6-8H2,2-5H3
InChIKeyXYPTZZQGMHILPQ-UHFFFAOYSA-N
XLogP1.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.79
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-6-trimethoxysilylhex-1-en-3-one?
The IUPAC name of 2-methyl-6-trimethoxysilylhex-1-en-3-one (CID 22259494) is 2-methyl-6-trimethoxysilylhex-1-en-3-one.
What is the SMILES notation for 2-methyl-6-trimethoxysilylhex-1-en-3-one?
The canonical SMILES for 2-methyl-6-trimethoxysilylhex-1-en-3-one is C=C(C)C(=O)CCC[Si](OC)(OC)OC.
What is the InChIKey of 2-methyl-6-trimethoxysilylhex-1-en-3-one?
The InChIKey is XYPTZZQGMHILPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4Si/c1-9(2)10(11)7-6-8-15(12-3,13-4)14-5/h1,6-8H2,2-5H3.
What are the key properties of 2-methyl-6-trimethoxysilylhex-1-en-3-one?
2-methyl-6-trimethoxysilylhex-1-en-3-one has a molecular weight of 232.35 g/mol, XLogP of 1.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-trimethoxysilylhex-1-en-3-one is sourced from PubChem (CID 22259494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).