trimethyl-[2-methylidene-4,4-bis(phenylsulfanyl)butyl]silane

C20H26S2Si — CID 15855736

IUPACtrimethyl-[2-methylidene-4,4-bis(phenylsulfanyl)butyl]silane
SMILESC=C(CC(Sc1ccccc1)Sc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C20H26S2Si/c1-17(16-23(2,3)4)15-20(21-18-11-7-5-8-12-18)22-19-13-9-6-10-14-19/h5-14,20H,1,15-16H2,2-4H3
InChIKeySFINLNYKOMOXSI-UHFFFAOYSA-N
MW358.65 g/mol
LogP7.18
Rot. Bonds8

About trimethyl-[2-methylidene-4,4-bis(phenylsulfanyl)butyl]silane

trimethyl-[2-methylidene-4,4-bis(phenylsulfanyl)butyl]silane (PubChem CID 15855736) has the molecular formula C20H26S2Si and a molecular weight of 358.65 g/mol. Its IUPAC name is trimethyl-[2-methylidene-4,4-bis(phenylsulfanyl)butyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-methylidene-4,4-bis(phenylsulfanyl)butyl]silane
PubChem CID15855736
Molecular FormulaC20H26S2Si
Molecular Weight358.65 g/mol
Exact Mass358.12
IUPAC Nametrimethyl-[2-methylidene-4,4-bis(phenylsulfanyl)butyl]silane
SMILESC=C(CC(Sc1ccccc1)Sc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C20H26S2Si/c1-17(16-23(2,3)4)15-20(21-18-11-7-5-8-12-18)22-19-13-9-6-10-14-19/h5-14,20H,1,15-16H2,2-4H3
InChIKeySFINLNYKOMOXSI-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-methylidene-4,4-bis(phenylsulfanyl)butyl]silane?
The IUPAC name of trimethyl-[2-methylidene-4,4-bis(phenylsulfanyl)butyl]silane (CID 15855736) is trimethyl-[2-methylidene-4,4-bis(phenylsulfanyl)butyl]silane.
What is the SMILES notation for trimethyl-[2-methylidene-4,4-bis(phenylsulfanyl)butyl]silane?
The canonical SMILES for trimethyl-[2-methylidene-4,4-bis(phenylsulfanyl)butyl]silane is C=C(CC(Sc1ccccc1)Sc1ccccc1)C[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-methylidene-4,4-bis(phenylsulfanyl)butyl]silane?
The InChIKey is SFINLNYKOMOXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26S2Si/c1-17(16-23(2,3)4)15-20(21-18-11-7-5-8-12-18)22-19-13-9-6-10-14-19/h5-14,20H,1,15-16H2,2-4H3.
What are the key properties of trimethyl-[2-methylidene-4,4-bis(phenylsulfanyl)butyl]silane?
trimethyl-[2-methylidene-4,4-bis(phenylsulfanyl)butyl]silane has a molecular weight of 358.65 g/mol, XLogP of 7.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-methylidene-4,4-bis(phenylsulfanyl)butyl]silane is sourced from PubChem (CID 15855736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).