(1-tert-butylsulfanyl-2-methylbuta-1,3-dienoxy)-trimethylsilane

C12H24OSSi — CID 74076157

IUPAC(1-tert-butylsulfanyl-2-methylbuta-1,3-dienoxy)-trimethylsilane
SMILESC=CC(C)=C(O[Si](C)(C)C)SC(C)(C)C
InChIInChI=1S/C12H24OSSi/c1-9-10(2)11(13-15(6,7)8)14-12(3,4)5/h9H,1H2,2-8H3
InChIKeyRYQGWNKVZSZRDK-UHFFFAOYSA-N
MW244.48 g/mol
LogP4.79
Rot. Bonds4

About (1-tert-butylsulfanyl-2-methylbuta-1,3-dienoxy)-trimethylsilane

(1-tert-butylsulfanyl-2-methylbuta-1,3-dienoxy)-trimethylsilane (PubChem CID 74076157) has the molecular formula C12H24OSSi and a molecular weight of 244.48 g/mol. Its IUPAC name is (1-tert-butylsulfanyl-2-methylbuta-1,3-dienoxy)-trimethylsilane.

Molecular Properties

Compound Name(1-tert-butylsulfanyl-2-methylbuta-1,3-dienoxy)-trimethylsilane
PubChem CID74076157
Molecular FormulaC12H24OSSi
Molecular Weight244.48 g/mol
Exact Mass244.13
IUPAC Name(1-tert-butylsulfanyl-2-methylbuta-1,3-dienoxy)-trimethylsilane
SMILESC=CC(C)=C(O[Si](C)(C)C)SC(C)(C)C
InChIInChI=1S/C12H24OSSi/c1-9-10(2)11(13-15(6,7)8)14-12(3,4)5/h9H,1H2,2-8H3
InChIKeyRYQGWNKVZSZRDK-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butylsulfanyl-2-methylbuta-1,3-dienoxy)-trimethylsilane?
The IUPAC name of (1-tert-butylsulfanyl-2-methylbuta-1,3-dienoxy)-trimethylsilane (CID 74076157) is (1-tert-butylsulfanyl-2-methylbuta-1,3-dienoxy)-trimethylsilane.
What is the SMILES notation for (1-tert-butylsulfanyl-2-methylbuta-1,3-dienoxy)-trimethylsilane?
The canonical SMILES for (1-tert-butylsulfanyl-2-methylbuta-1,3-dienoxy)-trimethylsilane is C=CC(C)=C(O[Si](C)(C)C)SC(C)(C)C.
What is the InChIKey of (1-tert-butylsulfanyl-2-methylbuta-1,3-dienoxy)-trimethylsilane?
The InChIKey is RYQGWNKVZSZRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSSi/c1-9-10(2)11(13-15(6,7)8)14-12(3,4)5/h9H,1H2,2-8H3.
What are the key properties of (1-tert-butylsulfanyl-2-methylbuta-1,3-dienoxy)-trimethylsilane?
(1-tert-butylsulfanyl-2-methylbuta-1,3-dienoxy)-trimethylsilane has a molecular weight of 244.48 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylsulfanyl-2-methylbuta-1,3-dienoxy)-trimethylsilane is sourced from PubChem (CID 74076157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).