but-3-enyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-diphenylsilane

C24H32S2Si — CID 22287058

IUPACbut-3-enyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-diphenylsilane
SMILESC=CCC[Si](c1ccccc1)(c1ccccc1)C1(CC(C)C)SCCCS1
InChIInChI=1S/C24H32S2Si/c1-4-5-19-27(22-13-8-6-9-14-22,23-15-10-7-11-16-23)24(20-21(2)3)25-17-12-18-26-24/h4,6-11,13-16,21H,1,5,12,17-20H2,2-3H3
InChIKeyXRQUZJDOCUBFFM-UHFFFAOYSA-N
MW412.74 g/mol
LogP5.98
Rot. Bonds8

About but-3-enyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-diphenylsilane

but-3-enyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-diphenylsilane (PubChem CID 22287058) has the molecular formula C24H32S2Si and a molecular weight of 412.74 g/mol. Its IUPAC name is but-3-enyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-diphenylsilane.

Molecular Properties

Compound Namebut-3-enyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-diphenylsilane
PubChem CID22287058
Molecular FormulaC24H32S2Si
Molecular Weight412.74 g/mol
Exact Mass412.17
IUPAC Namebut-3-enyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-diphenylsilane
SMILESC=CCC[Si](c1ccccc1)(c1ccccc1)C1(CC(C)C)SCCCS1
InChIInChI=1S/C24H32S2Si/c1-4-5-19-27(22-13-8-6-9-14-22,23-15-10-7-11-16-23)24(20-21(2)3)25-17-12-18-26-24/h4,6-11,13-16,21H,1,5,12,17-20H2,2-3H3
InChIKeyXRQUZJDOCUBFFM-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.74
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-enyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-diphenylsilane?
The IUPAC name of but-3-enyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-diphenylsilane (CID 22287058) is but-3-enyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-diphenylsilane.
What is the SMILES notation for but-3-enyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-diphenylsilane?
The canonical SMILES for but-3-enyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-diphenylsilane is C=CCC[Si](c1ccccc1)(c1ccccc1)C1(CC(C)C)SCCCS1.
What is the InChIKey of but-3-enyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-diphenylsilane?
The InChIKey is XRQUZJDOCUBFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32S2Si/c1-4-5-19-27(22-13-8-6-9-14-22,23-15-10-7-11-16-23)24(20-21(2)3)25-17-12-18-26-24/h4,6-11,13-16,21H,1,5,12,17-20H2,2-3H3.
What are the key properties of but-3-enyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-diphenylsilane?
but-3-enyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-diphenylsilane has a molecular weight of 412.74 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-diphenylsilane is sourced from PubChem (CID 22287058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).