2-(1,3-dithian-2-yl)ethoxy-tri(propan-2-yl)silane

C15H32OS2Si — CID 11359125

IUPAC2-(1,3-dithian-2-yl)ethoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCC1SCCCS1)(C(C)C)C(C)C
InChIInChI=1S/C15H32OS2Si/c1-12(2)19(13(3)4,14(5)6)16-9-8-15-17-10-7-11-18-15/h12-15H,7-11H2,1-6H3
InChIKeyBIGBWPRJCAXHEB-UHFFFAOYSA-N
MW320.64 g/mol
LogP5.76
Rot. Bonds7

About 2-(1,3-dithian-2-yl)ethoxy-tri(propan-2-yl)silane

2-(1,3-dithian-2-yl)ethoxy-tri(propan-2-yl)silane (PubChem CID 11359125) has the molecular formula C15H32OS2Si and a molecular weight of 320.64 g/mol. Its IUPAC name is 2-(1,3-dithian-2-yl)ethoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(1,3-dithian-2-yl)ethoxy-tri(propan-2-yl)silane
PubChem CID11359125
Molecular FormulaC15H32OS2Si
Molecular Weight320.64 g/mol
Exact Mass320.17
IUPAC Name2-(1,3-dithian-2-yl)ethoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCC1SCCCS1)(C(C)C)C(C)C
InChIInChI=1S/C15H32OS2Si/c1-12(2)19(13(3)4,14(5)6)16-9-8-15-17-10-7-11-18-15/h12-15H,7-11H2,1-6H3
InChIKeyBIGBWPRJCAXHEB-UHFFFAOYSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.64
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dithian-2-yl)ethoxy-tri(propan-2-yl)silane?
The IUPAC name of 2-(1,3-dithian-2-yl)ethoxy-tri(propan-2-yl)silane (CID 11359125) is 2-(1,3-dithian-2-yl)ethoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(1,3-dithian-2-yl)ethoxy-tri(propan-2-yl)silane?
The canonical SMILES for 2-(1,3-dithian-2-yl)ethoxy-tri(propan-2-yl)silane is CC(C)[Si](OCCC1SCCCS1)(C(C)C)C(C)C.
What is the InChIKey of 2-(1,3-dithian-2-yl)ethoxy-tri(propan-2-yl)silane?
The InChIKey is BIGBWPRJCAXHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32OS2Si/c1-12(2)19(13(3)4,14(5)6)16-9-8-15-17-10-7-11-18-15/h12-15H,7-11H2,1-6H3.
What are the key properties of 2-(1,3-dithian-2-yl)ethoxy-tri(propan-2-yl)silane?
2-(1,3-dithian-2-yl)ethoxy-tri(propan-2-yl)silane has a molecular weight of 320.64 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithian-2-yl)ethoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11359125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).