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

C19H30S2Si — CID 22967180

IUPACbut-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-phenylsilane
SMILESC=CCC[Si](C)(c1ccccc1)C1(CC(C)C)SCCCS1
InChIInChI=1S/C19H30S2Si/c1-5-6-15-22(4,18-11-8-7-9-12-18)19(16-17(2)3)20-13-10-14-21-19/h5,7-9,11-12,17H,1,6,10,13-16H2,2-4H3
InChIKeyFKVVBAWYBHCQSV-UHFFFAOYSA-N
MW350.67 g/mol
LogP5.70
Rot. Bonds7

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

but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-phenylsilane (PubChem CID 22967180) has the molecular formula C19H30S2Si and a molecular weight of 350.67 g/mol. Its IUPAC name is but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-phenylsilane.

Molecular Properties

Compound Namebut-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-phenylsilane
PubChem CID22967180
Molecular FormulaC19H30S2Si
Molecular Weight350.67 g/mol
Exact Mass350.16
IUPAC Namebut-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-phenylsilane
SMILESC=CCC[Si](C)(c1ccccc1)C1(CC(C)C)SCCCS1
InChIInChI=1S/C19H30S2Si/c1-5-6-15-22(4,18-11-8-7-9-12-18)19(16-17(2)3)20-13-10-14-21-19/h5,7-9,11-12,17H,1,6,10,13-16H2,2-4H3
InChIKeyFKVVBAWYBHCQSV-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.67
LogP ≤ 55.70
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]-phenylsilane?
The IUPAC name of but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-phenylsilane (CID 22967180) is but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-phenylsilane.
What is the SMILES notation for but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-phenylsilane?
The canonical SMILES for but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-phenylsilane is C=CCC[Si](C)(c1ccccc1)C1(CC(C)C)SCCCS1.
What is the InChIKey of but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-phenylsilane?
The InChIKey is FKVVBAWYBHCQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30S2Si/c1-5-6-15-22(4,18-11-8-7-9-12-18)19(16-17(2)3)20-13-10-14-21-19/h5,7-9,11-12,17H,1,6,10,13-16H2,2-4H3.
What are the key properties of but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-phenylsilane?
but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-phenylsilane has a molecular weight of 350.67 g/mol, XLogP of 5.70, 7 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]-phenylsilane is sourced from PubChem (CID 22967180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).