1-dihydroxysilyl-9-sulfanylnona-2,4,6,8-tetrayn-1-one

C9H4O3SSi — CID 158698125

IUPAC1-dihydroxysilyl-9-sulfanylnona-2,4,6,8-tetrayn-1-one
SMILESO=C(C#CC#CC#CC#CS)[SiH](O)O
InChIInChI=1S/C9H4O3SSi/c10-9(14(11)12)7-5-3-1-2-4-6-8-13/h11-14H
InChIKeyDBPZKJAEIODFRL-UHFFFAOYSA-N
MW220.28 g/mol
LogP-1.80
Rot. Bonds1

About 1-dihydroxysilyl-9-sulfanylnona-2,4,6,8-tetrayn-1-one

1-dihydroxysilyl-9-sulfanylnona-2,4,6,8-tetrayn-1-one (PubChem CID 158698125) has the molecular formula C9H4O3SSi and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-dihydroxysilyl-9-sulfanylnona-2,4,6,8-tetrayn-1-one.

Molecular Properties

Compound Name1-dihydroxysilyl-9-sulfanylnona-2,4,6,8-tetrayn-1-one
PubChem CID158698125
Molecular FormulaC9H4O3SSi
Molecular Weight220.28 g/mol
Exact Mass219.97
IUPAC Name1-dihydroxysilyl-9-sulfanylnona-2,4,6,8-tetrayn-1-one
SMILESO=C(C#CC#CC#CC#CS)[SiH](O)O
InChIInChI=1S/C9H4O3SSi/c10-9(14(11)12)7-5-3-1-2-4-6-8-13/h11-14H
InChIKeyDBPZKJAEIODFRL-UHFFFAOYSA-N
XLogP-1.80
TPSA57.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-dihydroxysilyl-9-sulfanylnona-2,4,6,8-tetrayn-1-one?
The IUPAC name of 1-dihydroxysilyl-9-sulfanylnona-2,4,6,8-tetrayn-1-one (CID 158698125) is 1-dihydroxysilyl-9-sulfanylnona-2,4,6,8-tetrayn-1-one.
What is the SMILES notation for 1-dihydroxysilyl-9-sulfanylnona-2,4,6,8-tetrayn-1-one?
The canonical SMILES for 1-dihydroxysilyl-9-sulfanylnona-2,4,6,8-tetrayn-1-one is O=C(C#CC#CC#CC#CS)[SiH](O)O.
What is the InChIKey of 1-dihydroxysilyl-9-sulfanylnona-2,4,6,8-tetrayn-1-one?
The InChIKey is DBPZKJAEIODFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4O3SSi/c10-9(14(11)12)7-5-3-1-2-4-6-8-13/h11-14H.
What are the key properties of 1-dihydroxysilyl-9-sulfanylnona-2,4,6,8-tetrayn-1-one?
1-dihydroxysilyl-9-sulfanylnona-2,4,6,8-tetrayn-1-one has a molecular weight of 220.28 g/mol, XLogP of -1.80, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dihydroxysilyl-9-sulfanylnona-2,4,6,8-tetrayn-1-one is sourced from PubChem (CID 158698125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).