trimethyl-[2-methyl-4-(trimethyl-λ4-sulfanyl)cyclohexa-2,5-dien-1-yl]silane

C13H26SSi — CID 174116764

IUPACtrimethyl-[2-methyl-4-(trimethyl-λ4-sulfanyl)cyclohexa-2,5-dien-1-yl]silane
SMILESCC1=CC(S(C)(C)C)C=CC1[Si](C)(C)C
InChIInChI=1S/C13H26SSi/c1-11-10-12(14(2,3)4)8-9-13(11)15(5,6)7/h8-10,12-13H,1-7H3
InChIKeyGUXGYCHMMHOSKW-UHFFFAOYSA-N
MW242.50 g/mol
LogP4.27
Rot. Bonds2

About trimethyl-[2-methyl-4-(trimethyl-λ4-sulfanyl)cyclohexa-2,5-dien-1-yl]silane

trimethyl-[2-methyl-4-(trimethyl-λ4-sulfanyl)cyclohexa-2,5-dien-1-yl]silane (PubChem CID 174116764) has the molecular formula C13H26SSi and a molecular weight of 242.50 g/mol. Its IUPAC name is trimethyl-[2-methyl-4-(trimethyl-λ4-sulfanyl)cyclohexa-2,5-dien-1-yl]silane.

Molecular Properties

Compound Nametrimethyl-[2-methyl-4-(trimethyl-λ4-sulfanyl)cyclohexa-2,5-dien-1-yl]silane
PubChem CID174116764
Molecular FormulaC13H26SSi
Molecular Weight242.50 g/mol
Exact Mass242.15
IUPAC Nametrimethyl-[2-methyl-4-(trimethyl-λ4-sulfanyl)cyclohexa-2,5-dien-1-yl]silane
SMILESCC1=CC(S(C)(C)C)C=CC1[Si](C)(C)C
InChIInChI=1S/C13H26SSi/c1-11-10-12(14(2,3)4)8-9-13(11)15(5,6)7/h8-10,12-13H,1-7H3
InChIKeyGUXGYCHMMHOSKW-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 trimethyl-[2-methyl-4-(trimethyl-λ4-sulfanyl)cyclohexa-2,5-dien-1-yl]silane?
The IUPAC name of trimethyl-[2-methyl-4-(trimethyl-λ4-sulfanyl)cyclohexa-2,5-dien-1-yl]silane (CID 174116764) is trimethyl-[2-methyl-4-(trimethyl-λ4-sulfanyl)cyclohexa-2,5-dien-1-yl]silane.
What is the SMILES notation for trimethyl-[2-methyl-4-(trimethyl-λ4-sulfanyl)cyclohexa-2,5-dien-1-yl]silane?
The canonical SMILES for trimethyl-[2-methyl-4-(trimethyl-λ4-sulfanyl)cyclohexa-2,5-dien-1-yl]silane is CC1=CC(S(C)(C)C)C=CC1[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-methyl-4-(trimethyl-λ4-sulfanyl)cyclohexa-2,5-dien-1-yl]silane?
The InChIKey is GUXGYCHMMHOSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26SSi/c1-11-10-12(14(2,3)4)8-9-13(11)15(5,6)7/h8-10,12-13H,1-7H3.
What are the key properties of trimethyl-[2-methyl-4-(trimethyl-λ4-sulfanyl)cyclohexa-2,5-dien-1-yl]silane?
trimethyl-[2-methyl-4-(trimethyl-λ4-sulfanyl)cyclohexa-2,5-dien-1-yl]silane has a molecular weight of 242.50 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-methyl-4-(trimethyl-λ4-sulfanyl)cyclohexa-2,5-dien-1-yl]silane is sourced from PubChem (CID 174116764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).