tributyl-[[(2S,6S)-2-phenyl-6-propan-2-yloxan-2-yl]oxymethyl]stannane

C27H48O2Sn — CID 11352958

IUPACtributyl-[[(2S,6S)-2-phenyl-6-propan-2-yloxan-2-yl]oxymethyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)CO[C@]1(c2ccccc2)CCC[C@@H](C(C)C)O1
InChIInChI=1S/C15H21O2.3C4H9.Sn/c1-12(2)14-10-7-11-15(16-3,17-14)13-8-5-4-6-9-13;3*1-3-4-2;/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3;3*1,3-4H2,2H3;/t14-,15+;;;;/m0..../s1
InChIKeyIXVSVDXLOZPSIO-VSDDYELYSA-N
MW523.39 g/mol
LogP8.47
Rot. Bonds14

About tributyl-[[(2S,6S)-2-phenyl-6-propan-2-yloxan-2-yl]oxymethyl]stannane

tributyl-[[(2S,6S)-2-phenyl-6-propan-2-yloxan-2-yl]oxymethyl]stannane (PubChem CID 11352958) has the molecular formula C27H48O2Sn and a molecular weight of 523.39 g/mol. Its IUPAC name is tributyl-[[(2S,6S)-2-phenyl-6-propan-2-yloxan-2-yl]oxymethyl]stannane.

Molecular Properties

Compound Nametributyl-[[(2S,6S)-2-phenyl-6-propan-2-yloxan-2-yl]oxymethyl]stannane
PubChem CID11352958
Molecular FormulaC27H48O2Sn
Molecular Weight523.39 g/mol
Exact Mass524.27
IUPAC Nametributyl-[[(2S,6S)-2-phenyl-6-propan-2-yloxan-2-yl]oxymethyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)CO[C@]1(c2ccccc2)CCC[C@@H](C(C)C)O1
InChIInChI=1S/C15H21O2.3C4H9.Sn/c1-12(2)14-10-7-11-15(16-3,17-14)13-8-5-4-6-9-13;3*1-3-4-2;/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3;3*1,3-4H2,2H3;/t14-,15+;;;;/m0..../s1
InChIKeyIXVSVDXLOZPSIO-VSDDYELYSA-N
XLogP8.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.39
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-[[(2S,6S)-2-phenyl-6-propan-2-yloxan-2-yl]oxymethyl]stannane?
The IUPAC name of tributyl-[[(2S,6S)-2-phenyl-6-propan-2-yloxan-2-yl]oxymethyl]stannane (CID 11352958) is tributyl-[[(2S,6S)-2-phenyl-6-propan-2-yloxan-2-yl]oxymethyl]stannane.
What is the SMILES notation for tributyl-[[(2S,6S)-2-phenyl-6-propan-2-yloxan-2-yl]oxymethyl]stannane?
The canonical SMILES for tributyl-[[(2S,6S)-2-phenyl-6-propan-2-yloxan-2-yl]oxymethyl]stannane is CCCC[Sn](CCCC)(CCCC)CO[C@]1(c2ccccc2)CCC[C@@H](C(C)C)O1.
What is the InChIKey of tributyl-[[(2S,6S)-2-phenyl-6-propan-2-yloxan-2-yl]oxymethyl]stannane?
The InChIKey is IXVSVDXLOZPSIO-VSDDYELYSA-N. The full InChI is InChI=1S/C15H21O2.3C4H9.Sn/c1-12(2)14-10-7-11-15(16-3,17-14)13-8-5-4-6-9-13;3*1-3-4-2;/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3;3*1,3-4H2,2H3;/t14-,15+;;;;/m0..../s1.
What are the key properties of tributyl-[[(2S,6S)-2-phenyl-6-propan-2-yloxan-2-yl]oxymethyl]stannane?
tributyl-[[(2S,6S)-2-phenyl-6-propan-2-yloxan-2-yl]oxymethyl]stannane has a molecular weight of 523.39 g/mol, XLogP of 8.47, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[[(2S,6S)-2-phenyl-6-propan-2-yloxan-2-yl]oxymethyl]stannane is sourced from PubChem (CID 11352958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).