trimethyl-(2-pentyl-1,3-dithian-2-yl)silane

C12H26S2Si — CID 11323002

IUPACtrimethyl-(2-pentyl-1,3-dithian-2-yl)silane
SMILESCCCCCC1([Si](C)(C)C)SCCCS1
InChIInChI=1S/C12H26S2Si/c1-5-6-7-9-12(15(2,3)4)13-10-8-11-14-12/h5-11H2,1-4H3
InChIKeyHULBPLRRDSETSJ-UHFFFAOYSA-N
MW262.56 g/mol
LogP5.01
Rot. Bonds5

About trimethyl-(2-pentyl-1,3-dithian-2-yl)silane

trimethyl-(2-pentyl-1,3-dithian-2-yl)silane (PubChem CID 11323002) has the molecular formula C12H26S2Si and a molecular weight of 262.56 g/mol. Its IUPAC name is trimethyl-(2-pentyl-1,3-dithian-2-yl)silane.

Molecular Properties

Compound Nametrimethyl-(2-pentyl-1,3-dithian-2-yl)silane
PubChem CID11323002
Molecular FormulaC12H26S2Si
Molecular Weight262.56 g/mol
Exact Mass262.12
IUPAC Nametrimethyl-(2-pentyl-1,3-dithian-2-yl)silane
SMILESCCCCCC1([Si](C)(C)C)SCCCS1
InChIInChI=1S/C12H26S2Si/c1-5-6-7-9-12(15(2,3)4)13-10-8-11-14-12/h5-11H2,1-4H3
InChIKeyHULBPLRRDSETSJ-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.56
LogP ≤ 55.01
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(2-pentyl-1,3-dithian-2-yl)silane?
The IUPAC name of trimethyl-(2-pentyl-1,3-dithian-2-yl)silane (CID 11323002) is trimethyl-(2-pentyl-1,3-dithian-2-yl)silane.
What is the SMILES notation for trimethyl-(2-pentyl-1,3-dithian-2-yl)silane?
The canonical SMILES for trimethyl-(2-pentyl-1,3-dithian-2-yl)silane is CCCCCC1([Si](C)(C)C)SCCCS1.
What is the InChIKey of trimethyl-(2-pentyl-1,3-dithian-2-yl)silane?
The InChIKey is HULBPLRRDSETSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26S2Si/c1-5-6-7-9-12(15(2,3)4)13-10-8-11-14-12/h5-11H2,1-4H3.
What are the key properties of trimethyl-(2-pentyl-1,3-dithian-2-yl)silane?
trimethyl-(2-pentyl-1,3-dithian-2-yl)silane has a molecular weight of 262.56 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-pentyl-1,3-dithian-2-yl)silane is sourced from PubChem (CID 11323002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).