[1-(1,3-dithian-2-yl)-1-phenylpent-4-ynoxy]-trimethylsilane

C18H26OS2Si — CID 14652367

IUPAC[1-(1,3-dithian-2-yl)-1-phenylpent-4-ynoxy]-trimethylsilane
SMILESC#CCCC(O[Si](C)(C)C)(c1ccccc1)C1SCCCS1
InChIInChI=1S/C18H26OS2Si/c1-5-6-13-18(19-22(2,3)4,16-11-8-7-9-12-16)17-20-14-10-15-21-17/h1,7-9,11-12,17H,6,10,13-15H2,2-4H3
InChIKeyNDURRIHGRYAUIW-UHFFFAOYSA-N
MW350.62 g/mol
LogP5.34
Rot. Bonds6

About [1-(1,3-dithian-2-yl)-1-phenylpent-4-ynoxy]-trimethylsilane

[1-(1,3-dithian-2-yl)-1-phenylpent-4-ynoxy]-trimethylsilane (PubChem CID 14652367) has the molecular formula C18H26OS2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is [1-(1,3-dithian-2-yl)-1-phenylpent-4-ynoxy]-trimethylsilane.

Molecular Properties

Compound Name[1-(1,3-dithian-2-yl)-1-phenylpent-4-ynoxy]-trimethylsilane
PubChem CID14652367
Molecular FormulaC18H26OS2Si
Molecular Weight350.62 g/mol
Exact Mass350.12
IUPAC Name[1-(1,3-dithian-2-yl)-1-phenylpent-4-ynoxy]-trimethylsilane
SMILESC#CCCC(O[Si](C)(C)C)(c1ccccc1)C1SCCCS1
InChIInChI=1S/C18H26OS2Si/c1-5-6-13-18(19-22(2,3)4,16-11-8-7-9-12-16)17-20-14-10-15-21-17/h1,7-9,11-12,17H,6,10,13-15H2,2-4H3
InChIKeyNDURRIHGRYAUIW-UHFFFAOYSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(1,3-dithian-2-yl)-1-phenylpent-4-ynoxy]-trimethylsilane 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 [1-(1,3-dithian-2-yl)-1-phenylpent-4-ynoxy]-trimethylsilane?
The IUPAC name of [1-(1,3-dithian-2-yl)-1-phenylpent-4-ynoxy]-trimethylsilane (CID 14652367) is [1-(1,3-dithian-2-yl)-1-phenylpent-4-ynoxy]-trimethylsilane.
What is the SMILES notation for [1-(1,3-dithian-2-yl)-1-phenylpent-4-ynoxy]-trimethylsilane?
The canonical SMILES for [1-(1,3-dithian-2-yl)-1-phenylpent-4-ynoxy]-trimethylsilane is C#CCCC(O[Si](C)(C)C)(c1ccccc1)C1SCCCS1.
What is the InChIKey of [1-(1,3-dithian-2-yl)-1-phenylpent-4-ynoxy]-trimethylsilane?
The InChIKey is NDURRIHGRYAUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26OS2Si/c1-5-6-13-18(19-22(2,3)4,16-11-8-7-9-12-16)17-20-14-10-15-21-17/h1,7-9,11-12,17H,6,10,13-15H2,2-4H3.
What are the key properties of [1-(1,3-dithian-2-yl)-1-phenylpent-4-ynoxy]-trimethylsilane?
[1-(1,3-dithian-2-yl)-1-phenylpent-4-ynoxy]-trimethylsilane has a molecular weight of 350.62 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-dithian-2-yl)-1-phenylpent-4-ynoxy]-trimethylsilane is sourced from PubChem (CID 14652367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).