6-[ethoxy(diethyl)silyl]-2-methylhex-1-en-3-one

C13H26O2Si — CID 21101449

IUPAC6-[ethoxy(diethyl)silyl]-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CCC[Si](CC)(CC)OCC
InChIInChI=1S/C13H26O2Si/c1-6-15-16(7-2,8-3)11-9-10-13(14)12(4)5/h4,6-11H2,1-3,5H3
InChIKeyAYPRUWIUIJDPFG-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.93
Rot. Bonds9

About 6-[ethoxy(diethyl)silyl]-2-methylhex-1-en-3-one

6-[ethoxy(diethyl)silyl]-2-methylhex-1-en-3-one (PubChem CID 21101449) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 6-[ethoxy(diethyl)silyl]-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name6-[ethoxy(diethyl)silyl]-2-methylhex-1-en-3-one
PubChem CID21101449
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name6-[ethoxy(diethyl)silyl]-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CCC[Si](CC)(CC)OCC
InChIInChI=1S/C13H26O2Si/c1-6-15-16(7-2,8-3)11-9-10-13(14)12(4)5/h4,6-11H2,1-3,5H3
InChIKeyAYPRUWIUIJDPFG-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-[ethoxy(diethyl)silyl]-2-methylhex-1-en-3-one?
The IUPAC name of 6-[ethoxy(diethyl)silyl]-2-methylhex-1-en-3-one (CID 21101449) is 6-[ethoxy(diethyl)silyl]-2-methylhex-1-en-3-one.
What is the SMILES notation for 6-[ethoxy(diethyl)silyl]-2-methylhex-1-en-3-one?
The canonical SMILES for 6-[ethoxy(diethyl)silyl]-2-methylhex-1-en-3-one is C=C(C)C(=O)CCC[Si](CC)(CC)OCC.
What is the InChIKey of 6-[ethoxy(diethyl)silyl]-2-methylhex-1-en-3-one?
The InChIKey is AYPRUWIUIJDPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-6-15-16(7-2,8-3)11-9-10-13(14)12(4)5/h4,6-11H2,1-3,5H3.
What are the key properties of 6-[ethoxy(diethyl)silyl]-2-methylhex-1-en-3-one?
6-[ethoxy(diethyl)silyl]-2-methylhex-1-en-3-one has a molecular weight of 242.43 g/mol, XLogP of 3.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethoxy(diethyl)silyl]-2-methylhex-1-en-3-one is sourced from PubChem (CID 21101449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).