[(Z)-2-tert-butylsulfanylethenyl]-trimethoxysilane

C9H20O3SSi — CID 101363415

IUPAC[(Z)-2-tert-butylsulfanylethenyl]-trimethoxysilane
SMILESCO[Si](/C=C\SC(C)(C)C)(OC)OC
InChIInChI=1S/C9H20O3SSi/c1-9(2,3)13-7-8-14(10-4,11-5)12-6/h7-8H,1-6H3/b8-7-
InChIKeyNJEWRQKWFAHUTJ-FPLPWBNLSA-N
MW236.41 g/mol
LogP2.45
Rot. Bonds5

About [(Z)-2-tert-butylsulfanylethenyl]-trimethoxysilane

[(Z)-2-tert-butylsulfanylethenyl]-trimethoxysilane (PubChem CID 101363415) has the molecular formula C9H20O3SSi and a molecular weight of 236.41 g/mol. Its IUPAC name is [(Z)-2-tert-butylsulfanylethenyl]-trimethoxysilane.

Molecular Properties

Compound Name[(Z)-2-tert-butylsulfanylethenyl]-trimethoxysilane
PubChem CID101363415
Molecular FormulaC9H20O3SSi
Molecular Weight236.41 g/mol
Exact Mass236.09
IUPAC Name[(Z)-2-tert-butylsulfanylethenyl]-trimethoxysilane
SMILESCO[Si](/C=C\SC(C)(C)C)(OC)OC
InChIInChI=1S/C9H20O3SSi/c1-9(2,3)13-7-8-14(10-4,11-5)12-6/h7-8H,1-6H3/b8-7-
InChIKeyNJEWRQKWFAHUTJ-FPLPWBNLSA-N
XLogP2.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-tert-butylsulfanylethenyl]-trimethoxysilane?
The IUPAC name of [(Z)-2-tert-butylsulfanylethenyl]-trimethoxysilane (CID 101363415) is [(Z)-2-tert-butylsulfanylethenyl]-trimethoxysilane.
What is the SMILES notation for [(Z)-2-tert-butylsulfanylethenyl]-trimethoxysilane?
The canonical SMILES for [(Z)-2-tert-butylsulfanylethenyl]-trimethoxysilane is CO[Si](/C=C\SC(C)(C)C)(OC)OC.
What is the InChIKey of [(Z)-2-tert-butylsulfanylethenyl]-trimethoxysilane?
The InChIKey is NJEWRQKWFAHUTJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H20O3SSi/c1-9(2,3)13-7-8-14(10-4,11-5)12-6/h7-8H,1-6H3/b8-7-.
What are the key properties of [(Z)-2-tert-butylsulfanylethenyl]-trimethoxysilane?
[(Z)-2-tert-butylsulfanylethenyl]-trimethoxysilane has a molecular weight of 236.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-tert-butylsulfanylethenyl]-trimethoxysilane is sourced from PubChem (CID 101363415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).