6-[diethoxy(ethyl)silyl]-2-methylhex-1-en-3-one;bis(6-[diethoxy(methoxy)silyl]-2-methylhex-1-en-3-one)

C37H74O11Si3 — CID 157148983

IUPAC6-[diethoxy(ethyl)silyl]-2-methylhex-1-en-3-one;bis(6-[diethoxy(methoxy)silyl]-2-methylhex-1-en-3-one)
SMILESC=C(C)C(=O)CCC[Si](CC)(OCC)OCC.C=C(C)C(=O)CCC[Si](OC)(OCC)OCC.C=C(C)C(=O)CCC[Si](OC)(OCC)OCC
InChIInChI=1S/C13H26O3Si.2C12H24O4Si/c1-6-15-17(8-3,16-7-2)11-9-10-13(14)12(4)5;2*1-6-15-17(14-5,16-7-2)10-8-9-12(13)11(3)4/h4,6-11H2,1-3,5H3;2*3,6-10H2,1-2,4-5H3
InChIKeyALAOCJFXSVOLLD-UHFFFAOYSA-N
MW779.25 g/mol
LogP8.59
Rot. Bonds30

About 6-[diethoxy(ethyl)silyl]-2-methylhex-1-en-3-one;bis(6-[diethoxy(methoxy)silyl]-2-methylhex-1-en-3-one)

6-[diethoxy(ethyl)silyl]-2-methylhex-1-en-3-one;bis(6-[diethoxy(methoxy)silyl]-2-methylhex-1-en-3-one) (PubChem CID 157148983) has the molecular formula C37H74O11Si3 and a molecular weight of 779.25 g/mol. Its IUPAC name is 6-[diethoxy(ethyl)silyl]-2-methylhex-1-en-3-one;bis(6-[diethoxy(methoxy)silyl]-2-methylhex-1-en-3-one).

Molecular Properties

Compound Name6-[diethoxy(ethyl)silyl]-2-methylhex-1-en-3-one;bis(6-[diethoxy(methoxy)silyl]-2-methylhex-1-en-3-one)
PubChem CID157148983
Molecular FormulaC37H74O11Si3
Molecular Weight779.25 g/mol
Exact Mass778.45
IUPAC Name6-[diethoxy(ethyl)silyl]-2-methylhex-1-en-3-one;bis(6-[diethoxy(methoxy)silyl]-2-methylhex-1-en-3-one)
SMILESC=C(C)C(=O)CCC[Si](CC)(OCC)OCC.C=C(C)C(=O)CCC[Si](OC)(OCC)OCC.C=C(C)C(=O)CCC[Si](OC)(OCC)OCC
InChIInChI=1S/C13H26O3Si.2C12H24O4Si/c1-6-15-17(8-3,16-7-2)11-9-10-13(14)12(4)5;2*1-6-15-17(14-5,16-7-2)10-8-9-12(13)11(3)4/h4,6-11H2,1-3,5H3;2*3,6-10H2,1-2,4-5H3
InChIKeyALAOCJFXSVOLLD-UHFFFAOYSA-N
XLogP8.59
TPSA125.05 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds30
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500779.25
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Methacrylpropyltriethoxysilane
CID 18364579
Methacryloylpropyltrimethoxysilane
CID 21894206
2-Methyl-6-(trimethoxysilyl)hex-1-en-3-one
CID 22259494
6-[Diethoxy(methyl)silyl]-2-methylhex-1-en-3-one
CID 17987008
2-Methyl-4-tri(propan-2-yloxy)silylhex-1-en-3-one
CID 18000401
6-[Dimethoxy(methyl)silyl]-2-methylhex-1-en-3-one
CID 18990416
2-Methyl-6-trimethoxysilylhex-1-ene-3,4-dione
CID 19860272
6-[Dimethyl(trimethylsilyloxy)silyl]-2-methylhex-1-en-3-one
CID 20239686
7-[[[Butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylhept-1-en-3-one
CID 20576119
6-[Ethoxy(diethyl)silyl]-2-methylhex-1-en-3-one
CID 21101449
2-Methyl-4-tris(trimethylsilyloxy)silylhex-1-en-3-one
CID 21195056
6-[Methoxy(dimethyl)silyl]-2-methylhex-1-en-3-one
CID 22011650

Frequently Asked Questions

What is the IUPAC name of 6-[diethoxy(ethyl)silyl]-2-methylhex-1-en-3-one;bis(6-[diethoxy(methoxy)silyl]-2-methylhex-1-en-3-one)?
The IUPAC name of 6-[diethoxy(ethyl)silyl]-2-methylhex-1-en-3-one;bis(6-[diethoxy(methoxy)silyl]-2-methylhex-1-en-3-one) (CID 157148983) is 6-[diethoxy(ethyl)silyl]-2-methylhex-1-en-3-one;bis(6-[diethoxy(methoxy)silyl]-2-methylhex-1-en-3-one).
What is the SMILES notation for 6-[diethoxy(ethyl)silyl]-2-methylhex-1-en-3-one;bis(6-[diethoxy(methoxy)silyl]-2-methylhex-1-en-3-one)?
The canonical SMILES for 6-[diethoxy(ethyl)silyl]-2-methylhex-1-en-3-one;bis(6-[diethoxy(methoxy)silyl]-2-methylhex-1-en-3-one) is C=C(C)C(=O)CCC[Si](CC)(OCC)OCC.C=C(C)C(=O)CCC[Si](OC)(OCC)OCC.C=C(C)C(=O)CCC[Si](OC)(OCC)OCC.
What is the InChIKey of 6-[diethoxy(ethyl)silyl]-2-methylhex-1-en-3-one;bis(6-[diethoxy(methoxy)silyl]-2-methylhex-1-en-3-one)?
The InChIKey is ALAOCJFXSVOLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si.2C12H24O4Si/c1-6-15-17(8-3,16-7-2)11-9-10-13(14)12(4)5;2*1-6-15-17(14-5,16-7-2)10-8-9-12(13)11(3)4/h4,6-11H2,1-3,5H3;2*3,6-10H2,1-2,4-5H3.
What are the key properties of 6-[diethoxy(ethyl)silyl]-2-methylhex-1-en-3-one;bis(6-[diethoxy(methoxy)silyl]-2-methylhex-1-en-3-one)?
6-[diethoxy(ethyl)silyl]-2-methylhex-1-en-3-one;bis(6-[diethoxy(methoxy)silyl]-2-methylhex-1-en-3-one) has a molecular weight of 779.25 g/mol, XLogP of 8.59, 30 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[diethoxy(ethyl)silyl]-2-methylhex-1-en-3-one;bis(6-[diethoxy(methoxy)silyl]-2-methylhex-1-en-3-one) is sourced from PubChem (CID 157148983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).