2-[ethoxy-(3-hydroxypropyl)-propylsilyl]oxyhex-4-en-3-one

C14H28O4Si — CID 141107020

IUPAC2-[ethoxy-(3-hydroxypropyl)-propylsilyl]oxyhex-4-en-3-one
SMILESCC=CC(=O)C(C)O[Si](CCC)(CCCO)OCC
InChIInChI=1S/C14H28O4Si/c1-5-9-14(16)13(4)18-19(11-6-2,17-7-3)12-8-10-15/h5,9,13,15H,6-8,10-12H2,1-4H3
InChIKeyAGZWUMKACRRIMG-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.81
Rot. Bonds11

About 2-[ethoxy-(3-hydroxypropyl)-propylsilyl]oxyhex-4-en-3-one

2-[ethoxy-(3-hydroxypropyl)-propylsilyl]oxyhex-4-en-3-one (PubChem CID 141107020) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-[ethoxy-(3-hydroxypropyl)-propylsilyl]oxyhex-4-en-3-one.

Molecular Properties

Compound Name2-[ethoxy-(3-hydroxypropyl)-propylsilyl]oxyhex-4-en-3-one
PubChem CID141107020
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name2-[ethoxy-(3-hydroxypropyl)-propylsilyl]oxyhex-4-en-3-one
SMILESCC=CC(=O)C(C)O[Si](CCC)(CCCO)OCC
InChIInChI=1S/C14H28O4Si/c1-5-9-14(16)13(4)18-19(11-6-2,17-7-3)12-8-10-15/h5,9,13,15H,6-8,10-12H2,1-4H3
InChIKeyAGZWUMKACRRIMG-UHFFFAOYSA-N
XLogP2.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
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 2-[ethoxy-(3-hydroxypropyl)-propylsilyl]oxyhex-4-en-3-one?
The IUPAC name of 2-[ethoxy-(3-hydroxypropyl)-propylsilyl]oxyhex-4-en-3-one (CID 141107020) is 2-[ethoxy-(3-hydroxypropyl)-propylsilyl]oxyhex-4-en-3-one.
What is the SMILES notation for 2-[ethoxy-(3-hydroxypropyl)-propylsilyl]oxyhex-4-en-3-one?
The canonical SMILES for 2-[ethoxy-(3-hydroxypropyl)-propylsilyl]oxyhex-4-en-3-one is CC=CC(=O)C(C)O[Si](CCC)(CCCO)OCC.
What is the InChIKey of 2-[ethoxy-(3-hydroxypropyl)-propylsilyl]oxyhex-4-en-3-one?
The InChIKey is AGZWUMKACRRIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-5-9-14(16)13(4)18-19(11-6-2,17-7-3)12-8-10-15/h5,9,13,15H,6-8,10-12H2,1-4H3.
What are the key properties of 2-[ethoxy-(3-hydroxypropyl)-propylsilyl]oxyhex-4-en-3-one?
2-[ethoxy-(3-hydroxypropyl)-propylsilyl]oxyhex-4-en-3-one has a molecular weight of 288.46 g/mol, XLogP of 2.81, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy-(3-hydroxypropyl)-propylsilyl]oxyhex-4-en-3-one is sourced from PubChem (CID 141107020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).