5-[diethoxy(propyl)silyl]oxy-2-methylhex-1-en-3-one

C14H28O4Si — CID 151620724

IUPAC5-[diethoxy(propyl)silyl]oxy-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CC(C)O[Si](CCC)(OCC)OCC
InChIInChI=1S/C14H28O4Si/c1-7-10-19(16-8-2,17-9-3)18-13(6)11-14(15)12(4)5/h13H,4,7-11H2,1-3,5-6H3
InChIKeyQOLKGZSCHBJYFZ-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.35
Rot. Bonds11

About 5-[diethoxy(propyl)silyl]oxy-2-methylhex-1-en-3-one

5-[diethoxy(propyl)silyl]oxy-2-methylhex-1-en-3-one (PubChem CID 151620724) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 5-[diethoxy(propyl)silyl]oxy-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name5-[diethoxy(propyl)silyl]oxy-2-methylhex-1-en-3-one
PubChem CID151620724
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name5-[diethoxy(propyl)silyl]oxy-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CC(C)O[Si](CCC)(OCC)OCC
InChIInChI=1S/C14H28O4Si/c1-7-10-19(16-8-2,17-9-3)18-13(6)11-14(15)12(4)5/h13H,4,7-11H2,1-3,5-6H3
InChIKeyQOLKGZSCHBJYFZ-UHFFFAOYSA-N
XLogP3.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.35
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 5-[diethoxy(propyl)silyl]oxy-2-methylhex-1-en-3-one?
The IUPAC name of 5-[diethoxy(propyl)silyl]oxy-2-methylhex-1-en-3-one (CID 151620724) is 5-[diethoxy(propyl)silyl]oxy-2-methylhex-1-en-3-one.
What is the SMILES notation for 5-[diethoxy(propyl)silyl]oxy-2-methylhex-1-en-3-one?
The canonical SMILES for 5-[diethoxy(propyl)silyl]oxy-2-methylhex-1-en-3-one is C=C(C)C(=O)CC(C)O[Si](CCC)(OCC)OCC.
What is the InChIKey of 5-[diethoxy(propyl)silyl]oxy-2-methylhex-1-en-3-one?
The InChIKey is QOLKGZSCHBJYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-7-10-19(16-8-2,17-9-3)18-13(6)11-14(15)12(4)5/h13H,4,7-11H2,1-3,5-6H3.
What are the key properties of 5-[diethoxy(propyl)silyl]oxy-2-methylhex-1-en-3-one?
5-[diethoxy(propyl)silyl]oxy-2-methylhex-1-en-3-one has a molecular weight of 288.46 g/mol, XLogP of 3.35, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[diethoxy(propyl)silyl]oxy-2-methylhex-1-en-3-one is sourced from PubChem (CID 151620724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).