tert-butyl-[2,3-dihydro-1H-inden-2-yl-(5-tributylstannyl-1,3-oxazol-2-yl)methoxy]-dimethylsilane

C31H53NO2SiSn — CID 52951699

IUPACtert-butyl-[2,3-dihydro-1H-inden-2-yl-(5-tributylstannyl-1,3-oxazol-2-yl)methoxy]-dimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(C(O[Si](C)(C)C(C)(C)C)C2Cc3ccccc3C2)o1
InChIInChI=1S/C19H26NO2Si.3C4H9.Sn/c1-19(2,3)23(4,5)22-17(18-20-10-11-21-18)16-12-14-8-6-7-9-15(14)13-16;3*1-3-4-2;/h6-10,16-17H,12-13H2,1-5H3;3*1,3-4H2,2H3;
InChIKeySREMUIHBKOUCLN-UHFFFAOYSA-N
MW618.57 g/mol
LogP9.21
Rot. Bonds14

About tert-butyl-[2,3-dihydro-1H-inden-2-yl-(5-tributylstannyl-1,3-oxazol-2-yl)methoxy]-dimethylsilane

tert-butyl-[2,3-dihydro-1H-inden-2-yl-(5-tributylstannyl-1,3-oxazol-2-yl)methoxy]-dimethylsilane (PubChem CID 52951699) has the molecular formula C31H53NO2SiSn and a molecular weight of 618.57 g/mol. Its IUPAC name is tert-butyl-[2,3-dihydro-1H-inden-2-yl-(5-tributylstannyl-1,3-oxazol-2-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2,3-dihydro-1H-inden-2-yl-(5-tributylstannyl-1,3-oxazol-2-yl)methoxy]-dimethylsilane
PubChem CID52951699
Molecular FormulaC31H53NO2SiSn
Molecular Weight618.57 g/mol
Exact Mass619.29
IUPAC Nametert-butyl-[2,3-dihydro-1H-inden-2-yl-(5-tributylstannyl-1,3-oxazol-2-yl)methoxy]-dimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(C(O[Si](C)(C)C(C)(C)C)C2Cc3ccccc3C2)o1
InChIInChI=1S/C19H26NO2Si.3C4H9.Sn/c1-19(2,3)23(4,5)22-17(18-20-10-11-21-18)16-12-14-8-6-7-9-15(14)13-16;3*1-3-4-2;/h6-10,16-17H,12-13H2,1-5H3;3*1,3-4H2,2H3;
InChIKeySREMUIHBKOUCLN-UHFFFAOYSA-N
XLogP9.21
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.57
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2,3-dihydro-1H-inden-2-yl-(5-tributylstannyl-1,3-oxazol-2-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2,3-dihydro-1H-inden-2-yl-(5-tributylstannyl-1,3-oxazol-2-yl)methoxy]-dimethylsilane (CID 52951699) is tert-butyl-[2,3-dihydro-1H-inden-2-yl-(5-tributylstannyl-1,3-oxazol-2-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2,3-dihydro-1H-inden-2-yl-(5-tributylstannyl-1,3-oxazol-2-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2,3-dihydro-1H-inden-2-yl-(5-tributylstannyl-1,3-oxazol-2-yl)methoxy]-dimethylsilane is CCCC[Sn](CCCC)(CCCC)c1cnc(C(O[Si](C)(C)C(C)(C)C)C2Cc3ccccc3C2)o1.
What is the InChIKey of tert-butyl-[2,3-dihydro-1H-inden-2-yl-(5-tributylstannyl-1,3-oxazol-2-yl)methoxy]-dimethylsilane?
The InChIKey is SREMUIHBKOUCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26NO2Si.3C4H9.Sn/c1-19(2,3)23(4,5)22-17(18-20-10-11-21-18)16-12-14-8-6-7-9-15(14)13-16;3*1-3-4-2;/h6-10,16-17H,12-13H2,1-5H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl-[2,3-dihydro-1H-inden-2-yl-(5-tributylstannyl-1,3-oxazol-2-yl)methoxy]-dimethylsilane?
tert-butyl-[2,3-dihydro-1H-inden-2-yl-(5-tributylstannyl-1,3-oxazol-2-yl)methoxy]-dimethylsilane has a molecular weight of 618.57 g/mol, XLogP of 9.21, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2,3-dihydro-1H-inden-2-yl-(5-tributylstannyl-1,3-oxazol-2-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 52951699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).