2-(1,3-dithiolan-2-yl)propyl-trimethoxysilane

C9H20O3S2Si — CID 12070526

IUPAC2-(1,3-dithiolan-2-yl)propyl-trimethoxysilane
SMILESCO[Si](CC(C)C1SCCS1)(OC)OC
InChIInChI=1S/C9H20O3S2Si/c1-8(9-13-5-6-14-9)7-15(10-2,11-3)12-4/h8-9H,5-7H2,1-4H3
InChIKeyNBHNXBICQBWSFL-UHFFFAOYSA-N
MW268.48 g/mol
LogP2.31
Rot. Bonds6

About 2-(1,3-dithiolan-2-yl)propyl-trimethoxysilane

2-(1,3-dithiolan-2-yl)propyl-trimethoxysilane (PubChem CID 12070526) has the molecular formula C9H20O3S2Si and a molecular weight of 268.48 g/mol. Its IUPAC name is 2-(1,3-dithiolan-2-yl)propyl-trimethoxysilane.

Molecular Properties

Compound Name2-(1,3-dithiolan-2-yl)propyl-trimethoxysilane
PubChem CID12070526
Molecular FormulaC9H20O3S2Si
Molecular Weight268.48 g/mol
Exact Mass268.06
IUPAC Name2-(1,3-dithiolan-2-yl)propyl-trimethoxysilane
SMILESCO[Si](CC(C)C1SCCS1)(OC)OC
InChIInChI=1S/C9H20O3S2Si/c1-8(9-13-5-6-14-9)7-15(10-2,11-3)12-4/h8-9H,5-7H2,1-4H3
InChIKeyNBHNXBICQBWSFL-UHFFFAOYSA-N
XLogP2.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.48
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithiolan-2-yl)propyl-trimethoxysilane?
The IUPAC name of 2-(1,3-dithiolan-2-yl)propyl-trimethoxysilane (CID 12070526) is 2-(1,3-dithiolan-2-yl)propyl-trimethoxysilane.
What is the SMILES notation for 2-(1,3-dithiolan-2-yl)propyl-trimethoxysilane?
The canonical SMILES for 2-(1,3-dithiolan-2-yl)propyl-trimethoxysilane is CO[Si](CC(C)C1SCCS1)(OC)OC.
What is the InChIKey of 2-(1,3-dithiolan-2-yl)propyl-trimethoxysilane?
The InChIKey is NBHNXBICQBWSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3S2Si/c1-8(9-13-5-6-14-9)7-15(10-2,11-3)12-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-(1,3-dithiolan-2-yl)propyl-trimethoxysilane?
2-(1,3-dithiolan-2-yl)propyl-trimethoxysilane has a molecular weight of 268.48 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithiolan-2-yl)propyl-trimethoxysilane is sourced from PubChem (CID 12070526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).