tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane

C23H48OSiSn — CID 15630112

IUPACtert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane
SMILESCCCC[Sn](CCCC)(CCCC)C1=CC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C11H21OSi.3C4H9.Sn/c1-11(2,3)13(4,5)12-10-8-6-7-9-10;3*1-3-4-2;/h9-10H,6,8H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyZZDUANMDXCZMTP-UHFFFAOYSA-N
MW487.43 g/mol
LogP8.49
Rot. Bonds12

About tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane

tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane (PubChem CID 15630112) has the molecular formula C23H48OSiSn and a molecular weight of 487.43 g/mol. Its IUPAC name is tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane
PubChem CID15630112
Molecular FormulaC23H48OSiSn
Molecular Weight487.43 g/mol
Exact Mass488.25
IUPAC Nametert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane
SMILESCCCC[Sn](CCCC)(CCCC)C1=CC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C11H21OSi.3C4H9.Sn/c1-11(2,3)13(4,5)12-10-8-6-7-9-10;3*1-3-4-2;/h9-10H,6,8H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyZZDUANMDXCZMTP-UHFFFAOYSA-N
XLogP8.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.43
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane?
The IUPAC name of tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane (CID 15630112) is tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane?
The canonical SMILES for tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane is CCCC[Sn](CCCC)(CCCC)C1=CC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane?
The InChIKey is ZZDUANMDXCZMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21OSi.3C4H9.Sn/c1-11(2,3)13(4,5)12-10-8-6-7-9-10;3*1-3-4-2;/h9-10H,6,8H2,1-5H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane?
tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane has a molecular weight of 487.43 g/mol, XLogP of 8.49, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane is sourced from PubChem (CID 15630112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).