tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)pent-4-en-2-yl]oxy-dimethylsilane

C19H40OS2Si2 — CID 11452468

IUPACtert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)pent-4-en-2-yl]oxy-dimethylsilane
SMILESC=C(C[C@@H](CC1SCCCS1)O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C19H40OS2Si2/c1-16(15-23(5,6)7)13-17(14-18-21-11-10-12-22-18)20-24(8,9)19(2,3)4/h17-18H,1,10-15H2,2-9H3/t17-/m0/s1
InChIKeyINUPRHPVPHKHNC-KRWDZBQOSA-N
MW404.83 g/mol
LogP7.25
Rot. Bonds8

About tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)pent-4-en-2-yl]oxy-dimethylsilane

tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)pent-4-en-2-yl]oxy-dimethylsilane (PubChem CID 11452468) has the molecular formula C19H40OS2Si2 and a molecular weight of 404.83 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)pent-4-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)pent-4-en-2-yl]oxy-dimethylsilane
PubChem CID11452468
Molecular FormulaC19H40OS2Si2
Molecular Weight404.83 g/mol
Exact Mass404.21
IUPAC Nametert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)pent-4-en-2-yl]oxy-dimethylsilane
SMILESC=C(C[C@@H](CC1SCCCS1)O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C19H40OS2Si2/c1-16(15-23(5,6)7)13-17(14-18-21-11-10-12-22-18)20-24(8,9)19(2,3)4/h17-18H,1,10-15H2,2-9H3/t17-/m0/s1
InChIKeyINUPRHPVPHKHNC-KRWDZBQOSA-N
XLogP7.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.83
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)pent-4-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)pent-4-en-2-yl]oxy-dimethylsilane (CID 11452468) is tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)pent-4-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)pent-4-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)pent-4-en-2-yl]oxy-dimethylsilane is C=C(C[C@@H](CC1SCCCS1)O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)pent-4-en-2-yl]oxy-dimethylsilane?
The InChIKey is INUPRHPVPHKHNC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H40OS2Si2/c1-16(15-23(5,6)7)13-17(14-18-21-11-10-12-22-18)20-24(8,9)19(2,3)4/h17-18H,1,10-15H2,2-9H3/t17-/m0/s1.
What are the key properties of tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)pent-4-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)pent-4-en-2-yl]oxy-dimethylsilane has a molecular weight of 404.83 g/mol, XLogP of 7.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)pent-4-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11452468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).