trimethyl-[2-[(2-phenyl-1,3-dioxolan-2-yl)methylsulfanyl]ethynyl]silane

C15H20O2SSi — CID 50908437

IUPACtrimethyl-[2-[(2-phenyl-1,3-dioxolan-2-yl)methylsulfanyl]ethynyl]silane
SMILESC[Si](C)(C)C#CSCC1(c2ccccc2)OCCO1
InChIInChI=1S/C15H20O2SSi/c1-19(2,3)12-11-18-13-15(16-9-10-17-15)14-7-5-4-6-8-14/h4-8H,9-10,13H2,1-3H3
InChIKeyILMHKJGRTZZWKK-UHFFFAOYSA-N
MW292.48 g/mol
LogP3.46
Rot. Bonds3

About trimethyl-[2-[(2-phenyl-1,3-dioxolan-2-yl)methylsulfanyl]ethynyl]silane

trimethyl-[2-[(2-phenyl-1,3-dioxolan-2-yl)methylsulfanyl]ethynyl]silane (PubChem CID 50908437) has the molecular formula C15H20O2SSi and a molecular weight of 292.48 g/mol. Its IUPAC name is trimethyl-[2-[(2-phenyl-1,3-dioxolan-2-yl)methylsulfanyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(2-phenyl-1,3-dioxolan-2-yl)methylsulfanyl]ethynyl]silane
PubChem CID50908437
Molecular FormulaC15H20O2SSi
Molecular Weight292.48 g/mol
Exact Mass292.10
IUPAC Nametrimethyl-[2-[(2-phenyl-1,3-dioxolan-2-yl)methylsulfanyl]ethynyl]silane
SMILESC[Si](C)(C)C#CSCC1(c2ccccc2)OCCO1
InChIInChI=1S/C15H20O2SSi/c1-19(2,3)12-11-18-13-15(16-9-10-17-15)14-7-5-4-6-8-14/h4-8H,9-10,13H2,1-3H3
InChIKeyILMHKJGRTZZWKK-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.48
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-2-(phenylsulfanylmethyl)-1,3-dioxolane
CID 15417317
2-(4-iodobutyl)-2-phenyl-1,3-dioxolane
CID 15936562
2-(2-methylpropyl)-2-phenyl-1,3-dioxane
CID 89439871
[2-(4-methylphenyl)-1,3-dioxolan-2-yl]methanol
CID 55253379
5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol
CID 68649617
2-phenyl-2-(phenylseleninylmethyl)-1,3-dioxolane
CID 86065236
2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane
CID 12934420
2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane
CID 101039125
2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate
CID 143933613
2-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfanyloxyethyl]-2-phenyl-1,3-dioxolane
CID 129262203
2-(1-chloroethyl)-2-phenyl-1,3-dioxolane
CID 150236654
(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1,3-dioxane
CID 10990426

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(2-phenyl-1,3-dioxolan-2-yl)methylsulfanyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[(2-phenyl-1,3-dioxolan-2-yl)methylsulfanyl]ethynyl]silane (CID 50908437) is trimethyl-[2-[(2-phenyl-1,3-dioxolan-2-yl)methylsulfanyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[(2-phenyl-1,3-dioxolan-2-yl)methylsulfanyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[(2-phenyl-1,3-dioxolan-2-yl)methylsulfanyl]ethynyl]silane is C[Si](C)(C)C#CSCC1(c2ccccc2)OCCO1.
What is the InChIKey of trimethyl-[2-[(2-phenyl-1,3-dioxolan-2-yl)methylsulfanyl]ethynyl]silane?
The InChIKey is ILMHKJGRTZZWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2SSi/c1-19(2,3)12-11-18-13-15(16-9-10-17-15)14-7-5-4-6-8-14/h4-8H,9-10,13H2,1-3H3.
What are the key properties of trimethyl-[2-[(2-phenyl-1,3-dioxolan-2-yl)methylsulfanyl]ethynyl]silane?
trimethyl-[2-[(2-phenyl-1,3-dioxolan-2-yl)methylsulfanyl]ethynyl]silane has a molecular weight of 292.48 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(2-phenyl-1,3-dioxolan-2-yl)methylsulfanyl]ethynyl]silane is sourced from PubChem (CID 50908437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).