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

C23H50O2SiSn — CID 10323877

IUPACtert-butyl-dimethyl-[(Z)-4-(tributylstannylmethoxy)but-2-enoxy]silane
SMILESCCCC[Sn](CCCC)(CCCC)COC/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23O2Si.3C4H9.Sn/c1-11(2,3)14(5,6)13-10-8-7-9-12-4;3*1-3-4-2;/h7-8H,4,9-10H2,1-3,5-6H3;3*1,3-4H2,2H3;/b8-7-;;;;
InChIKeyIITJECJCHBIFGL-LIIRSGIESA-N
MW505.45 g/mol
LogP7.97
Rot. Bonds16

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

tert-butyl-dimethyl-[(Z)-4-(tributylstannylmethoxy)but-2-enoxy]silane (PubChem CID 10323877) has the molecular formula C23H50O2SiSn and a molecular weight of 505.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z)-4-(tributylstannylmethoxy)but-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z)-4-(tributylstannylmethoxy)but-2-enoxy]silane
PubChem CID10323877
Molecular FormulaC23H50O2SiSn
Molecular Weight505.45 g/mol
Exact Mass506.26
IUPAC Nametert-butyl-dimethyl-[(Z)-4-(tributylstannylmethoxy)but-2-enoxy]silane
SMILESCCCC[Sn](CCCC)(CCCC)COC/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23O2Si.3C4H9.Sn/c1-11(2,3)14(5,6)13-10-8-7-9-12-4;3*1-3-4-2;/h7-8H,4,9-10H2,1-3,5-6H3;3*1,3-4H2,2H3;/b8-7-;;;;
InChIKeyIITJECJCHBIFGL-LIIRSGIESA-N
XLogP7.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.45
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 tert-butyl-dimethyl-[(Z)-4-(tributylstannylmethoxy)but-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(Z)-4-(tributylstannylmethoxy)but-2-enoxy]silane (CID 10323877) is tert-butyl-dimethyl-[(Z)-4-(tributylstannylmethoxy)but-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z)-4-(tributylstannylmethoxy)but-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(Z)-4-(tributylstannylmethoxy)but-2-enoxy]silane is CCCC[Sn](CCCC)(CCCC)COC/C=C\CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(Z)-4-(tributylstannylmethoxy)but-2-enoxy]silane?
The InChIKey is IITJECJCHBIFGL-LIIRSGIESA-N. The full InChI is InChI=1S/C11H23O2Si.3C4H9.Sn/c1-11(2,3)14(5,6)13-10-8-7-9-12-4;3*1-3-4-2;/h7-8H,4,9-10H2,1-3,5-6H3;3*1,3-4H2,2H3;/b8-7-;;;;.
What are the key properties of tert-butyl-dimethyl-[(Z)-4-(tributylstannylmethoxy)but-2-enoxy]silane?
tert-butyl-dimethyl-[(Z)-4-(tributylstannylmethoxy)but-2-enoxy]silane has a molecular weight of 505.45 g/mol, XLogP of 7.97, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z)-4-(tributylstannylmethoxy)but-2-enoxy]silane is sourced from PubChem (CID 10323877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).