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

C13H26S2Si — CID 123522532

IUPACbut-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]silane
SMILESC=CCC[SiH](C)C1(CC(C)C)SCCCS1
InChIInChI=1S/C13H26S2Si/c1-5-6-10-16(4)13(11-12(2)3)14-8-7-9-15-13/h5,12,16H,1,6-11H2,2-4H3
InChIKeyOQOYBJZIRIWUPK-UHFFFAOYSA-N
MW274.57 g/mol
LogP4.57
Rot. Bonds6

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

but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]silane (PubChem CID 123522532) has the molecular formula C13H26S2Si and a molecular weight of 274.57 g/mol. Its IUPAC name is but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]silane.

Molecular Properties

Compound Namebut-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]silane
PubChem CID123522532
Molecular FormulaC13H26S2Si
Molecular Weight274.57 g/mol
Exact Mass274.12
IUPAC Namebut-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]silane
SMILESC=CCC[SiH](C)C1(CC(C)C)SCCCS1
InChIInChI=1S/C13H26S2Si/c1-5-6-10-16(4)13(11-12(2)3)14-8-7-9-15-13/h5,12,16H,1,6-11H2,2-4H3
InChIKeyOQOYBJZIRIWUPK-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.57
LogP ≤ 54.57
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-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]silane?
The IUPAC name of but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]silane (CID 123522532) is but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]silane.
What is the SMILES notation for but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]silane?
The canonical SMILES for but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]silane is C=CCC[SiH](C)C1(CC(C)C)SCCCS1.
What is the InChIKey of but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]silane?
The InChIKey is OQOYBJZIRIWUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26S2Si/c1-5-6-10-16(4)13(11-12(2)3)14-8-7-9-15-13/h5,12,16H,1,6-11H2,2-4H3.
What are the key properties of but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]silane?
but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]silane has a molecular weight of 274.57 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]silane is sourced from PubChem (CID 123522532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).