6-[Diethoxy(methyl)silyl]-2-methylhex-1-en-3-one

C12H24O3Si — CID 17987008

IUPAC6-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one
SMILESCCO[Si](C)(CCCC(=O)C(=C)C)OCC
InChIInChI=1S/C12H24O3Si/c1-6-14-16(5,15-7-2)10-8-9-12(13)11(3)4/h3,6-10H2,1-2,4-5H3
InChIKeyGANRUNBROXMSEB-UHFFFAOYSA-N
MW244.40 g/mol
LogP—
Rot. Bonds9

About 6-[Diethoxy(methyl)silyl]-2-methylhex-1-en-3-one

6-[Diethoxy(methyl)silyl]-2-methylhex-1-en-3-one (PubChem CID 17987008) has the molecular formula C12H24O3Si and a molecular weight of 244.40 g/mol. Its IUPAC name is 6-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name6-[Diethoxy(methyl)silyl]-2-methylhex-1-en-3-one
PubChem CID17987008
Molecular FormulaC12H24O3Si
Molecular Weight244.40 g/mol
Exact Mass244.15
IUPAC Name6-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one
SMILESCCO[Si](C)(CCCC(=O)C(=C)C)OCC
InChIInChI=1S/C12H24O3Si/c1-6-14-16(5,15-7-2)10-8-9-12(13)11(3)4/h3,6-10H2,1-2,4-5H3
InChIKeyGANRUNBROXMSEB-UHFFFAOYSA-N
XLogP—
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity232

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
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'}

Analyze 6-[Diethoxy(methyl)silyl]-2-methylhex-1-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[Diethoxy(methyl)silyl]-2-methylhex-1-en-3-one?
The IUPAC name of 6-[Diethoxy(methyl)silyl]-2-methylhex-1-en-3-one (CID 17987008) is 6-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one.
What is the SMILES notation for 6-[Diethoxy(methyl)silyl]-2-methylhex-1-en-3-one?
The canonical SMILES for 6-[Diethoxy(methyl)silyl]-2-methylhex-1-en-3-one is CCO[Si](C)(CCCC(=O)C(=C)C)OCC.
What is the InChIKey of 6-[Diethoxy(methyl)silyl]-2-methylhex-1-en-3-one?
The InChIKey is GANRUNBROXMSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-6-14-16(5,15-7-2)10-8-9-12(13)11(3)4/h3,6-10H2,1-2,4-5H3.
What are the key properties of 6-[Diethoxy(methyl)silyl]-2-methylhex-1-en-3-one?
6-[Diethoxy(methyl)silyl]-2-methylhex-1-en-3-one has a molecular weight of 244.40 g/mol, XLogP of not available, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[Diethoxy(methyl)silyl]-2-methylhex-1-en-3-one is sourced from PubChem (CID 17987008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).