7-[diethoxy(methyl)silyl]hept-2-en-4-one

C12H24O3Si — CID 57106624

IUPAC7-[diethoxy(methyl)silyl]hept-2-en-4-one
SMILESCC=CC(=O)CCC[Si](C)(OCC)OCC
InChIInChI=1S/C12H24O3Si/c1-5-9-12(13)10-8-11-16(4,14-6-2)15-7-3/h5,9H,6-8,10-11H2,1-4H3
InChIKeyHAVSMFPXUAGSSR-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.06
Rot. Bonds9

About 7-[diethoxy(methyl)silyl]hept-2-en-4-one

7-[diethoxy(methyl)silyl]hept-2-en-4-one (PubChem CID 57106624) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 7-[diethoxy(methyl)silyl]hept-2-en-4-one.

Molecular Properties

Compound Name7-[diethoxy(methyl)silyl]hept-2-en-4-one
PubChem CID57106624
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name7-[diethoxy(methyl)silyl]hept-2-en-4-one
SMILESCC=CC(=O)CCC[Si](C)(OCC)OCC
InChIInChI=1S/C12H24O3Si/c1-5-9-12(13)10-8-11-16(4,14-6-2)15-7-3/h5,9H,6-8,10-11H2,1-4H3
InChIKeyHAVSMFPXUAGSSR-UHFFFAOYSA-N
XLogP3.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 7-[diethoxy(methyl)silyl]hept-2-en-4-one?
The IUPAC name of 7-[diethoxy(methyl)silyl]hept-2-en-4-one (CID 57106624) is 7-[diethoxy(methyl)silyl]hept-2-en-4-one.
What is the SMILES notation for 7-[diethoxy(methyl)silyl]hept-2-en-4-one?
The canonical SMILES for 7-[diethoxy(methyl)silyl]hept-2-en-4-one is CC=CC(=O)CCC[Si](C)(OCC)OCC.
What is the InChIKey of 7-[diethoxy(methyl)silyl]hept-2-en-4-one?
The InChIKey is HAVSMFPXUAGSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-5-9-12(13)10-8-11-16(4,14-6-2)15-7-3/h5,9H,6-8,10-11H2,1-4H3.
What are the key properties of 7-[diethoxy(methyl)silyl]hept-2-en-4-one?
7-[diethoxy(methyl)silyl]hept-2-en-4-one has a molecular weight of 244.41 g/mol, XLogP of 3.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[diethoxy(methyl)silyl]hept-2-en-4-one is sourced from PubChem (CID 57106624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).