trichloro-[3-chloro-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propyl]silane

C9H10Cl4O2SSi — CID 141294858

IUPACtrichloro-[3-chloro-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propyl]silane
SMILESO=S(=O)=C1C=CC(C(Cl)CC[Si](Cl)(Cl)Cl)=CC1
InChIInChI=1S/C9H10Cl4O2SSi/c10-9(5-6-17(11,12)13)7-1-3-8(4-2-7)16(14)15/h1-3,9H,4-6H2
InChIKeyOWJIXHVMIUJXQY-UHFFFAOYSA-N
MW352.14 g/mol
LogP3.58
Rot. Bonds4

About trichloro-[3-chloro-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propyl]silane

trichloro-[3-chloro-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propyl]silane (PubChem CID 141294858) has the molecular formula C9H10Cl4O2SSi and a molecular weight of 352.14 g/mol. Its IUPAC name is trichloro-[3-chloro-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propyl]silane.

Molecular Properties

Compound Nametrichloro-[3-chloro-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propyl]silane
PubChem CID141294858
Molecular FormulaC9H10Cl4O2SSi
Molecular Weight352.14 g/mol
Exact Mass349.89
IUPAC Nametrichloro-[3-chloro-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propyl]silane
SMILESO=S(=O)=C1C=CC(C(Cl)CC[Si](Cl)(Cl)Cl)=CC1
InChIInChI=1S/C9H10Cl4O2SSi/c10-9(5-6-17(11,12)13)7-1-3-8(4-2-7)16(14)15/h1-3,9H,4-6H2
InChIKeyOWJIXHVMIUJXQY-UHFFFAOYSA-N
XLogP3.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze trichloro-[3-chloro-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propyl]silane 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 trichloro-[3-chloro-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propyl]silane?
The IUPAC name of trichloro-[3-chloro-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propyl]silane (CID 141294858) is trichloro-[3-chloro-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propyl]silane.
What is the SMILES notation for trichloro-[3-chloro-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propyl]silane?
The canonical SMILES for trichloro-[3-chloro-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propyl]silane is O=S(=O)=C1C=CC(C(Cl)CC[Si](Cl)(Cl)Cl)=CC1.
What is the InChIKey of trichloro-[3-chloro-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propyl]silane?
The InChIKey is OWJIXHVMIUJXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl4O2SSi/c10-9(5-6-17(11,12)13)7-1-3-8(4-2-7)16(14)15/h1-3,9H,4-6H2.
What are the key properties of trichloro-[3-chloro-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propyl]silane?
trichloro-[3-chloro-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propyl]silane has a molecular weight of 352.14 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[3-chloro-3-(4-sulfonylcyclohexa-1,5-dien-1-yl)propyl]silane is sourced from PubChem (CID 141294858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).