trimethoxy (5-methyl-4-oxohex-5-enyl) silicate

C10H20O8Si — CID 174454618

IUPACtrimethoxy (5-methyl-4-oxohex-5-enyl) silicate
SMILESC=C(C)C(=O)CCCO[Si](OOC)(OOC)OOC
InChIInChI=1S/C10H20O8Si/c1-9(2)10(11)7-6-8-15-19(16-12-3,17-13-4)18-14-5/h1,6-8H2,2-5H3
InChIKeyCDEDZBWMLXOLJE-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.10
Rot. Bonds12

About trimethoxy (5-methyl-4-oxohex-5-enyl) silicate

trimethoxy (5-methyl-4-oxohex-5-enyl) silicate (PubChem CID 174454618) has the molecular formula C10H20O8Si and a molecular weight of 296.35 g/mol. Its IUPAC name is trimethoxy (5-methyl-4-oxohex-5-enyl) silicate.

Molecular Properties

Compound Nametrimethoxy (5-methyl-4-oxohex-5-enyl) silicate
PubChem CID174454618
Molecular FormulaC10H20O8Si
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Nametrimethoxy (5-methyl-4-oxohex-5-enyl) silicate
SMILESC=C(C)C(=O)CCCO[Si](OOC)(OOC)OOC
InChIInChI=1S/C10H20O8Si/c1-9(2)10(11)7-6-8-15-19(16-12-3,17-13-4)18-14-5/h1,6-8H2,2-5H3
InChIKeyCDEDZBWMLXOLJE-UHFFFAOYSA-N
XLogP1.10
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-enyl) silicate?
The IUPAC name of trimethoxy (5-methyl-4-oxohex-5-enyl) silicate (CID 174454618) is trimethoxy (5-methyl-4-oxohex-5-enyl) silicate.
What is the SMILES notation for trimethoxy (5-methyl-4-oxohex-5-enyl) silicate?
The canonical SMILES for trimethoxy (5-methyl-4-oxohex-5-enyl) silicate is C=C(C)C(=O)CCCO[Si](OOC)(OOC)OOC.
What is the InChIKey of trimethoxy (5-methyl-4-oxohex-5-enyl) silicate?
The InChIKey is CDEDZBWMLXOLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O8Si/c1-9(2)10(11)7-6-8-15-19(16-12-3,17-13-4)18-14-5/h1,6-8H2,2-5H3.
What are the key properties of trimethoxy (5-methyl-4-oxohex-5-enyl) silicate?
trimethoxy (5-methyl-4-oxohex-5-enyl) silicate has a molecular weight of 296.35 g/mol, XLogP of 1.10, 12 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-enyl) silicate is sourced from PubChem (CID 174454618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).