trichloro-[3-(thiolan-2-yloxy)propyl]silane

C7H13Cl3OSSi — CID 91224372

IUPACtrichloro-[3-(thiolan-2-yloxy)propyl]silane
SMILESCl[Si](Cl)(Cl)CCCOC1CCCS1
InChIInChI=1S/C7H13Cl3OSSi/c8-13(9,10)6-2-4-11-7-3-1-5-12-7/h7H,1-6H2
InChIKeyDLTJQYKSHYXRQT-UHFFFAOYSA-N
MW279.69 g/mol
LogP3.90
Rot. Bonds5

About trichloro-[3-(thiolan-2-yloxy)propyl]silane

trichloro-[3-(thiolan-2-yloxy)propyl]silane (PubChem CID 91224372) has the molecular formula C7H13Cl3OSSi and a molecular weight of 279.69 g/mol. Its IUPAC name is trichloro-[3-(thiolan-2-yloxy)propyl]silane.

Molecular Properties

Compound Nametrichloro-[3-(thiolan-2-yloxy)propyl]silane
PubChem CID91224372
Molecular FormulaC7H13Cl3OSSi
Molecular Weight279.69 g/mol
Exact Mass277.95
IUPAC Nametrichloro-[3-(thiolan-2-yloxy)propyl]silane
SMILESCl[Si](Cl)(Cl)CCCOC1CCCS1
InChIInChI=1S/C7H13Cl3OSSi/c8-13(9,10)6-2-4-11-7-3-1-5-12-7/h7H,1-6H2
InChIKeyDLTJQYKSHYXRQT-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trichloro-[3-(thiolan-2-yloxy)propyl]silane?
The IUPAC name of trichloro-[3-(thiolan-2-yloxy)propyl]silane (CID 91224372) is trichloro-[3-(thiolan-2-yloxy)propyl]silane.
What is the SMILES notation for trichloro-[3-(thiolan-2-yloxy)propyl]silane?
The canonical SMILES for trichloro-[3-(thiolan-2-yloxy)propyl]silane is Cl[Si](Cl)(Cl)CCCOC1CCCS1.
What is the InChIKey of trichloro-[3-(thiolan-2-yloxy)propyl]silane?
The InChIKey is DLTJQYKSHYXRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl3OSSi/c8-13(9,10)6-2-4-11-7-3-1-5-12-7/h7H,1-6H2.
What are the key properties of trichloro-[3-(thiolan-2-yloxy)propyl]silane?
trichloro-[3-(thiolan-2-yloxy)propyl]silane has a molecular weight of 279.69 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[3-(thiolan-2-yloxy)propyl]silane is sourced from PubChem (CID 91224372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).