5-butylnonan-5-yl-[2-tri(propan-2-yl)silyl-1,3-oxazol-4-yl]tin

C25H49NOSiSn — CID 176910575

IUPAC5-butylnonan-5-yl-[2-tri(propan-2-yl)silyl-1,3-oxazol-4-yl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1coc([Si](C(C)C)(C(C)C)C(C)C)n1
InChIInChI=1S/C13H27.C12H22NOSi.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-9(2)15(10(3)4,11(5)6)12-13-7-8-14-12;/h4-12H2,1-3H3;8-11H,1-6H3;
InChIKeyUNCUBQMXNRZTSZ-UHFFFAOYSA-N
MW526.47 g/mol
LogP7.62
Rot. Bonds15

About 5-butylnonan-5-yl-[2-tri(propan-2-yl)silyl-1,3-oxazol-4-yl]tin

5-butylnonan-5-yl-[2-tri(propan-2-yl)silyl-1,3-oxazol-4-yl]tin (PubChem CID 176910575) has the molecular formula C25H49NOSiSn and a molecular weight of 526.47 g/mol. Its IUPAC name is 5-butylnonan-5-yl-[2-tri(propan-2-yl)silyl-1,3-oxazol-4-yl]tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-[2-tri(propan-2-yl)silyl-1,3-oxazol-4-yl]tin
PubChem CID176910575
Molecular FormulaC25H49NOSiSn
Molecular Weight526.47 g/mol
Exact Mass527.26
IUPAC Name5-butylnonan-5-yl-[2-tri(propan-2-yl)silyl-1,3-oxazol-4-yl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1coc([Si](C(C)C)(C(C)C)C(C)C)n1
InChIInChI=1S/C13H27.C12H22NOSi.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-9(2)15(10(3)4,11(5)6)12-13-7-8-14-12;/h4-12H2,1-3H3;8-11H,1-6H3;
InChIKeyUNCUBQMXNRZTSZ-UHFFFAOYSA-N
XLogP7.62
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.47
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-butylnonan-5-yl-[2-tri(propan-2-yl)silyl-1,3-oxazol-4-yl]tin?
The IUPAC name of 5-butylnonan-5-yl-[2-tri(propan-2-yl)silyl-1,3-oxazol-4-yl]tin (CID 176910575) is 5-butylnonan-5-yl-[2-tri(propan-2-yl)silyl-1,3-oxazol-4-yl]tin.
What is the SMILES notation for 5-butylnonan-5-yl-[2-tri(propan-2-yl)silyl-1,3-oxazol-4-yl]tin?
The canonical SMILES for 5-butylnonan-5-yl-[2-tri(propan-2-yl)silyl-1,3-oxazol-4-yl]tin is CCCCC(CCCC)(CCCC)[Sn]c1coc([Si](C(C)C)(C(C)C)C(C)C)n1.
What is the InChIKey of 5-butylnonan-5-yl-[2-tri(propan-2-yl)silyl-1,3-oxazol-4-yl]tin?
The InChIKey is UNCUBQMXNRZTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C12H22NOSi.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-9(2)15(10(3)4,11(5)6)12-13-7-8-14-12;/h4-12H2,1-3H3;8-11H,1-6H3;.
What are the key properties of 5-butylnonan-5-yl-[2-tri(propan-2-yl)silyl-1,3-oxazol-4-yl]tin?
5-butylnonan-5-yl-[2-tri(propan-2-yl)silyl-1,3-oxazol-4-yl]tin has a molecular weight of 526.47 g/mol, XLogP of 7.62, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-[2-tri(propan-2-yl)silyl-1,3-oxazol-4-yl]tin is sourced from PubChem (CID 176910575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).