2-methyl-6-[tris(2-methoxyethoxy)silyl]hex-1-en-3-one

C16H32O7Si — CID 87356941

IUPAC2-methyl-6-[tris(2-methoxyethoxy)silyl]hex-1-en-3-one
SMILESC=C(C)C(=O)CCC[Si](OCCOC)(OCCOC)OCCOC
InChIInChI=1S/C16H32O7Si/c1-15(2)16(17)7-6-14-24(21-11-8-18-3,22-12-9-19-4)23-13-10-20-5/h1,6-14H2,2-5H3
InChIKeyGFZBQELOZKSQFP-UHFFFAOYSA-N
MW364.51 g/mol
LogP1.84
Rot. Bonds17

About 2-methyl-6-[tris(2-methoxyethoxy)silyl]hex-1-en-3-one

2-methyl-6-[tris(2-methoxyethoxy)silyl]hex-1-en-3-one (PubChem CID 87356941) has the molecular formula C16H32O7Si and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-methyl-6-[tris(2-methoxyethoxy)silyl]hex-1-en-3-one.

Molecular Properties

Compound Name2-methyl-6-[tris(2-methoxyethoxy)silyl]hex-1-en-3-one
PubChem CID87356941
Molecular FormulaC16H32O7Si
Molecular Weight364.51 g/mol
Exact Mass364.19
IUPAC Name2-methyl-6-[tris(2-methoxyethoxy)silyl]hex-1-en-3-one
SMILESC=C(C)C(=O)CCC[Si](OCCOC)(OCCOC)OCCOC
InChIInChI=1S/C16H32O7Si/c1-15(2)16(17)7-6-14-24(21-11-8-18-3,22-12-9-19-4)23-13-10-20-5/h1,6-14H2,2-5H3
InChIKeyGFZBQELOZKSQFP-UHFFFAOYSA-N
XLogP1.84
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[tris(2-methoxyethoxy)silyl]hex-1-en-3-one?
The IUPAC name of 2-methyl-6-[tris(2-methoxyethoxy)silyl]hex-1-en-3-one (CID 87356941) is 2-methyl-6-[tris(2-methoxyethoxy)silyl]hex-1-en-3-one.
What is the SMILES notation for 2-methyl-6-[tris(2-methoxyethoxy)silyl]hex-1-en-3-one?
The canonical SMILES for 2-methyl-6-[tris(2-methoxyethoxy)silyl]hex-1-en-3-one is C=C(C)C(=O)CCC[Si](OCCOC)(OCCOC)OCCOC.
What is the InChIKey of 2-methyl-6-[tris(2-methoxyethoxy)silyl]hex-1-en-3-one?
The InChIKey is GFZBQELOZKSQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O7Si/c1-15(2)16(17)7-6-14-24(21-11-8-18-3,22-12-9-19-4)23-13-10-20-5/h1,6-14H2,2-5H3.
What are the key properties of 2-methyl-6-[tris(2-methoxyethoxy)silyl]hex-1-en-3-one?
2-methyl-6-[tris(2-methoxyethoxy)silyl]hex-1-en-3-one has a molecular weight of 364.51 g/mol, XLogP of 1.84, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[tris(2-methoxyethoxy)silyl]hex-1-en-3-one is sourced from PubChem (CID 87356941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).