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

C13H26O8Si — CID 174394057

IUPACtriethoxy (5-methyl-4-oxohex-5-enyl) silicate
SMILESC=C(C)C(=O)CCCO[Si](OOCC)(OOCC)OOCC
InChIInChI=1S/C13H26O8Si/c1-6-15-19-22(20-16-7-2,21-17-8-3)18-11-9-10-13(14)12(4)5/h4,6-11H2,1-3,5H3
InChIKeyLNEZFUZHTHKSOO-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.27
Rot. Bonds15

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

triethoxy (5-methyl-4-oxohex-5-enyl) silicate (PubChem CID 174394057) has the molecular formula C13H26O8Si and a molecular weight of 338.43 g/mol. Its IUPAC name is triethoxy (5-methyl-4-oxohex-5-enyl) silicate.

Molecular Properties

Compound Nametriethoxy (5-methyl-4-oxohex-5-enyl) silicate
PubChem CID174394057
Molecular FormulaC13H26O8Si
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Nametriethoxy (5-methyl-4-oxohex-5-enyl) silicate
SMILESC=C(C)C(=O)CCCO[Si](OOCC)(OOCC)OOCC
InChIInChI=1S/C13H26O8Si/c1-6-15-19-22(20-16-7-2,21-17-8-3)18-11-9-10-13(14)12(4)5/h4,6-11H2,1-3,5H3
InChIKeyLNEZFUZHTHKSOO-UHFFFAOYSA-N
XLogP2.27
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.27
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 triethoxy (5-methyl-4-oxohex-5-enyl) silicate?
The IUPAC name of triethoxy (5-methyl-4-oxohex-5-enyl) silicate (CID 174394057) is triethoxy (5-methyl-4-oxohex-5-enyl) silicate.
What is the SMILES notation for triethoxy (5-methyl-4-oxohex-5-enyl) silicate?
The canonical SMILES for triethoxy (5-methyl-4-oxohex-5-enyl) silicate is C=C(C)C(=O)CCCO[Si](OOCC)(OOCC)OOCC.
What is the InChIKey of triethoxy (5-methyl-4-oxohex-5-enyl) silicate?
The InChIKey is LNEZFUZHTHKSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O8Si/c1-6-15-19-22(20-16-7-2,21-17-8-3)18-11-9-10-13(14)12(4)5/h4,6-11H2,1-3,5H3.
What are the key properties of triethoxy (5-methyl-4-oxohex-5-enyl) silicate?
triethoxy (5-methyl-4-oxohex-5-enyl) silicate has a molecular weight of 338.43 g/mol, XLogP of 2.27, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy (5-methyl-4-oxohex-5-enyl) silicate is sourced from PubChem (CID 174394057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).