1-triethoxysilylsulfanylundecan-4-one

C17H36O4SSi — CID 141487269

IUPAC1-triethoxysilylsulfanylundecan-4-one
SMILESCCCCCCCC(=O)CCCS[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H36O4SSi/c1-5-9-10-11-12-14-17(18)15-13-16-22-23(19-6-2,20-7-3)21-8-4/h5-16H2,1-4H3
InChIKeyDHYHDFUBUKFVQQ-UHFFFAOYSA-N
MW364.62 g/mol
LogP4.97
Rot. Bonds17

About 1-triethoxysilylsulfanylundecan-4-one

1-triethoxysilylsulfanylundecan-4-one (PubChem CID 141487269) has the molecular formula C17H36O4SSi and a molecular weight of 364.62 g/mol. Its IUPAC name is 1-triethoxysilylsulfanylundecan-4-one.

Molecular Properties

Compound Name1-triethoxysilylsulfanylundecan-4-one
PubChem CID141487269
Molecular FormulaC17H36O4SSi
Molecular Weight364.62 g/mol
Exact Mass364.21
IUPAC Name1-triethoxysilylsulfanylundecan-4-one
SMILESCCCCCCCC(=O)CCCS[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H36O4SSi/c1-5-9-10-11-12-14-17(18)15-13-16-22-23(19-6-2,20-7-3)21-8-4/h5-16H2,1-4H3
InChIKeyDHYHDFUBUKFVQQ-UHFFFAOYSA-N
XLogP4.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
dodecan-5-one
CID 29771
formic acid;henicosane-7,12-dione
CID 175044766
ethene;tridecan-7-one
CID 159715360
octadecan-4-one
CID 551672
icosane-4,15-dione
CID 123287171

Frequently Asked Questions

What is the IUPAC name of 1-triethoxysilylsulfanylundecan-4-one?
The IUPAC name of 1-triethoxysilylsulfanylundecan-4-one (CID 141487269) is 1-triethoxysilylsulfanylundecan-4-one.
What is the SMILES notation for 1-triethoxysilylsulfanylundecan-4-one?
The canonical SMILES for 1-triethoxysilylsulfanylundecan-4-one is CCCCCCCC(=O)CCCS[Si](OCC)(OCC)OCC.
What is the InChIKey of 1-triethoxysilylsulfanylundecan-4-one?
The InChIKey is DHYHDFUBUKFVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4SSi/c1-5-9-10-11-12-14-17(18)15-13-16-22-23(19-6-2,20-7-3)21-8-4/h5-16H2,1-4H3.
What are the key properties of 1-triethoxysilylsulfanylundecan-4-one?
1-triethoxysilylsulfanylundecan-4-one has a molecular weight of 364.62 g/mol, XLogP of 4.97, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethoxysilylsulfanylundecan-4-one is sourced from PubChem (CID 141487269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).