tert-butyl-dimethyl-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]silane

C12H26O2SSi — CID 14320962

IUPACtert-butyl-dimethyl-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]silane
SMILESCSCOC/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2SSi/c1-12(2,3)16(5,6)14-10-8-7-9-13-11-15-4/h7-8H,9-11H2,1-6H3/b8-7-
InChIKeyJQBHCKOXTUQQKC-FPLPWBNLSA-N
MW262.49 g/mol
LogP3.90
Rot. Bonds7

About tert-butyl-dimethyl-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]silane

tert-butyl-dimethyl-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]silane (PubChem CID 14320962) has the molecular formula C12H26O2SSi and a molecular weight of 262.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]silane
PubChem CID14320962
Molecular FormulaC12H26O2SSi
Molecular Weight262.49 g/mol
Exact Mass262.14
IUPAC Nametert-butyl-dimethyl-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]silane
SMILESCSCOC/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2SSi/c1-12(2,3)16(5,6)14-10-8-7-9-13-11-15-4/h7-8H,9-11H2,1-6H3/b8-7-
InChIKeyJQBHCKOXTUQQKC-FPLPWBNLSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 tert-butyl-dimethyl-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]silane (CID 14320962) is tert-butyl-dimethyl-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]silane is CSCOC/C=C\CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]silane?
The InChIKey is JQBHCKOXTUQQKC-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H26O2SSi/c1-12(2,3)16(5,6)14-10-8-7-9-13-11-15-4/h7-8H,9-11H2,1-6H3/b8-7-.
What are the key properties of tert-butyl-dimethyl-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]silane?
tert-butyl-dimethyl-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]silane has a molecular weight of 262.49 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]silane is sourced from PubChem (CID 14320962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).