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

C25H34S2Si — CID 23547065

IUPACbut-3-enyl-[2-(3-methylbutyl)-1,3-dithian-2-yl]-diphenylsilane
SMILESC=CCC[Si](c1ccccc1)(c1ccccc1)C1(CCC(C)C)SCCCS1
InChIInChI=1S/C25H34S2Si/c1-4-5-21-28(23-13-8-6-9-14-23,24-15-10-7-11-16-24)25(18-17-22(2)3)26-19-12-20-27-25/h4,6-11,13-16,22H,1,5,12,17-21H2,2-3H3
InChIKeyKARJACAACFCKIP-UHFFFAOYSA-N
MW426.77 g/mol
LogP6.37
Rot. Bonds9

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

but-3-enyl-[2-(3-methylbutyl)-1,3-dithian-2-yl]-diphenylsilane (PubChem CID 23547065) has the molecular formula C25H34S2Si and a molecular weight of 426.77 g/mol. Its IUPAC name is but-3-enyl-[2-(3-methylbutyl)-1,3-dithian-2-yl]-diphenylsilane.

Molecular Properties

Compound Namebut-3-enyl-[2-(3-methylbutyl)-1,3-dithian-2-yl]-diphenylsilane
PubChem CID23547065
Molecular FormulaC25H34S2Si
Molecular Weight426.77 g/mol
Exact Mass426.19
IUPAC Namebut-3-enyl-[2-(3-methylbutyl)-1,3-dithian-2-yl]-diphenylsilane
SMILESC=CCC[Si](c1ccccc1)(c1ccccc1)C1(CCC(C)C)SCCCS1
InChIInChI=1S/C25H34S2Si/c1-4-5-21-28(23-13-8-6-9-14-23,24-15-10-7-11-16-24)25(18-17-22(2)3)26-19-12-20-27-25/h4,6-11,13-16,22H,1,5,12,17-21H2,2-3H3
InChIKeyKARJACAACFCKIP-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.77
LogP ≤ 56.37
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-(3-methylbutyl)-1,3-dithian-2-yl]-diphenylsilane?
The IUPAC name of but-3-enyl-[2-(3-methylbutyl)-1,3-dithian-2-yl]-diphenylsilane (CID 23547065) is but-3-enyl-[2-(3-methylbutyl)-1,3-dithian-2-yl]-diphenylsilane.
What is the SMILES notation for but-3-enyl-[2-(3-methylbutyl)-1,3-dithian-2-yl]-diphenylsilane?
The canonical SMILES for but-3-enyl-[2-(3-methylbutyl)-1,3-dithian-2-yl]-diphenylsilane is C=CCC[Si](c1ccccc1)(c1ccccc1)C1(CCC(C)C)SCCCS1.
What is the InChIKey of but-3-enyl-[2-(3-methylbutyl)-1,3-dithian-2-yl]-diphenylsilane?
The InChIKey is KARJACAACFCKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34S2Si/c1-4-5-21-28(23-13-8-6-9-14-23,24-15-10-7-11-16-24)25(18-17-22(2)3)26-19-12-20-27-25/h4,6-11,13-16,22H,1,5,12,17-21H2,2-3H3.
What are the key properties of but-3-enyl-[2-(3-methylbutyl)-1,3-dithian-2-yl]-diphenylsilane?
but-3-enyl-[2-(3-methylbutyl)-1,3-dithian-2-yl]-diphenylsilane has a molecular weight of 426.77 g/mol, XLogP of 6.37, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl-[2-(3-methylbutyl)-1,3-dithian-2-yl]-diphenylsilane is sourced from PubChem (CID 23547065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).