trimethoxy (5-methyl-4-oxohex-5-en-3-yl) silicate

C10H20O8Si — CID 174454619

IUPACtrimethoxy (5-methyl-4-oxohex-5-en-3-yl) silicate
SMILESC=C(C)C(=O)C(CC)O[Si](OOC)(OOC)OOC
InChIInChI=1S/C10H20O8Si/c1-7-9(10(11)8(2)3)15-19(16-12-4,17-13-5)18-14-6/h9H,2,7H2,1,3-6H3
InChIKeyOZNTVTAFJHZRJI-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.10
Rot. Bonds11

About trimethoxy (5-methyl-4-oxohex-5-en-3-yl) silicate

trimethoxy (5-methyl-4-oxohex-5-en-3-yl) silicate (PubChem CID 174454619) has the molecular formula C10H20O8Si and a molecular weight of 296.35 g/mol. Its IUPAC name is trimethoxy (5-methyl-4-oxohex-5-en-3-yl) silicate.

Molecular Properties

Compound Nametrimethoxy (5-methyl-4-oxohex-5-en-3-yl) silicate
PubChem CID174454619
Molecular FormulaC10H20O8Si
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Nametrimethoxy (5-methyl-4-oxohex-5-en-3-yl) silicate
SMILESC=C(C)C(=O)C(CC)O[Si](OOC)(OOC)OOC
InChIInChI=1S/C10H20O8Si/c1-7-9(10(11)8(2)3)15-19(16-12-4,17-13-5)18-14-6/h9H,2,7H2,1,3-6H3
InChIKeyOZNTVTAFJHZRJI-UHFFFAOYSA-N
XLogP1.10
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethoxy (5-methyl-4-oxohex-5-en-3-yl) silicate?
The IUPAC name of trimethoxy (5-methyl-4-oxohex-5-en-3-yl) silicate (CID 174454619) is trimethoxy (5-methyl-4-oxohex-5-en-3-yl) silicate.
What is the SMILES notation for trimethoxy (5-methyl-4-oxohex-5-en-3-yl) silicate?
The canonical SMILES for trimethoxy (5-methyl-4-oxohex-5-en-3-yl) silicate is C=C(C)C(=O)C(CC)O[Si](OOC)(OOC)OOC.
What is the InChIKey of trimethoxy (5-methyl-4-oxohex-5-en-3-yl) silicate?
The InChIKey is OZNTVTAFJHZRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O8Si/c1-7-9(10(11)8(2)3)15-19(16-12-4,17-13-5)18-14-6/h9H,2,7H2,1,3-6H3.
What are the key properties of trimethoxy (5-methyl-4-oxohex-5-en-3-yl) silicate?
trimethoxy (5-methyl-4-oxohex-5-en-3-yl) silicate has a molecular weight of 296.35 g/mol, XLogP of 1.10, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy (5-methyl-4-oxohex-5-en-3-yl) silicate is sourced from PubChem (CID 174454619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).