ethoxy(methyl)silane;6-ethoxysilyl-2-methylhex-1-en-3-one;ethylperoxyethane;methylperoxymethane

C25H64O10Si3 — CID 123964677

IUPACethoxy(methyl)silane;6-ethoxysilyl-2-methylhex-1-en-3-one;ethylperoxyethane;methylperoxymethane
SMILESC=C(C)C(=O)CCC[SiH2]OCC.CCOOCC.CCOOCC.CCO[SiH2]C.CCO[SiH2]C.COOC
InChIInChI=1S/C9H18O2Si.2C4H10O2.2C3H10OSi.C2H6O2/c1-4-11-12-7-5-6-9(10)8(2)3;2*1-3-5-6-4-2;2*1-3-4-5-2;1-3-4-2/h2,4-7,12H2,1,3H3;2*3-4H2,1-2H3;2*3,5H2,1-2H3;1-2H3
InChIKeySWWKLLBUCUOHJP-UHFFFAOYSA-N
MW609.04 g/mol
LogP3.90
Rot. Bonds18

About ethoxy(methyl)silane;6-ethoxysilyl-2-methylhex-1-en-3-one;ethylperoxyethane;methylperoxymethane

ethoxy(methyl)silane;6-ethoxysilyl-2-methylhex-1-en-3-one;ethylperoxyethane;methylperoxymethane (PubChem CID 123964677) has the molecular formula C25H64O10Si3 and a molecular weight of 609.04 g/mol. Its IUPAC name is ethoxy(methyl)silane;6-ethoxysilyl-2-methylhex-1-en-3-one;ethylperoxyethane;methylperoxymethane.

Molecular Properties

Compound Nameethoxy(methyl)silane;6-ethoxysilyl-2-methylhex-1-en-3-one;ethylperoxyethane;methylperoxymethane
PubChem CID123964677
Molecular FormulaC25H64O10Si3
Molecular Weight609.04 g/mol
Exact Mass608.38
IUPAC Nameethoxy(methyl)silane;6-ethoxysilyl-2-methylhex-1-en-3-one;ethylperoxyethane;methylperoxymethane
SMILESC=C(C)C(=O)CCC[SiH2]OCC.CCOOCC.CCOOCC.CCO[SiH2]C.CCO[SiH2]C.COOC
InChIInChI=1S/C9H18O2Si.2C4H10O2.2C3H10OSi.C2H6O2/c1-4-11-12-7-5-6-9(10)8(2)3;2*1-3-5-6-4-2;2*1-3-4-5-2;1-3-4-2/h2,4-7,12H2,1,3H3;2*3-4H2,1-2H3;2*3,5H2,1-2H3;1-2H3
InChIKeySWWKLLBUCUOHJP-UHFFFAOYSA-N
XLogP3.90
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.04
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy(methyl)silane;6-ethoxysilyl-2-methylhex-1-en-3-one;ethylperoxyethane;methylperoxymethane?
The IUPAC name of ethoxy(methyl)silane;6-ethoxysilyl-2-methylhex-1-en-3-one;ethylperoxyethane;methylperoxymethane (CID 123964677) is ethoxy(methyl)silane;6-ethoxysilyl-2-methylhex-1-en-3-one;ethylperoxyethane;methylperoxymethane.
What is the SMILES notation for ethoxy(methyl)silane;6-ethoxysilyl-2-methylhex-1-en-3-one;ethylperoxyethane;methylperoxymethane?
The canonical SMILES for ethoxy(methyl)silane;6-ethoxysilyl-2-methylhex-1-en-3-one;ethylperoxyethane;methylperoxymethane is C=C(C)C(=O)CCC[SiH2]OCC.CCOOCC.CCOOCC.CCO[SiH2]C.CCO[SiH2]C.COOC.
What is the InChIKey of ethoxy(methyl)silane;6-ethoxysilyl-2-methylhex-1-en-3-one;ethylperoxyethane;methylperoxymethane?
The InChIKey is SWWKLLBUCUOHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si.2C4H10O2.2C3H10OSi.C2H6O2/c1-4-11-12-7-5-6-9(10)8(2)3;2*1-3-5-6-4-2;2*1-3-4-5-2;1-3-4-2/h2,4-7,12H2,1,3H3;2*3-4H2,1-2H3;2*3,5H2,1-2H3;1-2H3.
What are the key properties of ethoxy(methyl)silane;6-ethoxysilyl-2-methylhex-1-en-3-one;ethylperoxyethane;methylperoxymethane?
ethoxy(methyl)silane;6-ethoxysilyl-2-methylhex-1-en-3-one;ethylperoxyethane;methylperoxymethane has a molecular weight of 609.04 g/mol, XLogP of 3.90, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(methyl)silane;6-ethoxysilyl-2-methylhex-1-en-3-one;ethylperoxyethane;methylperoxymethane is sourced from PubChem (CID 123964677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).