tributyl-[(E)-2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]ethenyl]stannane

C20H40O2Sn — CID 11826151

IUPACtributyl-[(E)-2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]ethenyl]stannane
SMILESCCCC[Sn](/C=C/C1O[C@H](C)C[C@@H](C)O1)(CCCC)CCCC
InChIInChI=1S/C8H13O2.3C4H9.Sn/c1-4-8-9-6(2)5-7(3)10-8;3*1-3-4-2;/h1,4,6-8H,5H2,2-3H3;3*1,3-4H2,2H3;/t6-,7-;;;;/m1..../s1
InChIKeyCTGLPVULIWCSNS-GPNPRUALSA-N
MW431.25 g/mol
LogP6.47
Rot. Bonds11

About tributyl-[(E)-2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]ethenyl]stannane

tributyl-[(E)-2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]ethenyl]stannane (PubChem CID 11826151) has the molecular formula C20H40O2Sn and a molecular weight of 431.25 g/mol. Its IUPAC name is tributyl-[(E)-2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]ethenyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]ethenyl]stannane
PubChem CID11826151
Molecular FormulaC20H40O2Sn
Molecular Weight431.25 g/mol
Exact Mass432.21
IUPAC Nametributyl-[(E)-2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]ethenyl]stannane
SMILESCCCC[Sn](/C=C/C1O[C@H](C)C[C@@H](C)O1)(CCCC)CCCC
InChIInChI=1S/C8H13O2.3C4H9.Sn/c1-4-8-9-6(2)5-7(3)10-8;3*1-3-4-2;/h1,4,6-8H,5H2,2-3H3;3*1,3-4H2,2H3;/t6-,7-;;;;/m1..../s1
InChIKeyCTGLPVULIWCSNS-GPNPRUALSA-N
XLogP6.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.25
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]ethenyl]stannane?
The IUPAC name of tributyl-[(E)-2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]ethenyl]stannane (CID 11826151) is tributyl-[(E)-2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]ethenyl]stannane.
What is the SMILES notation for tributyl-[(E)-2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]ethenyl]stannane?
The canonical SMILES for tributyl-[(E)-2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]ethenyl]stannane is CCCC[Sn](/C=C/C1O[C@H](C)C[C@@H](C)O1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]ethenyl]stannane?
The InChIKey is CTGLPVULIWCSNS-GPNPRUALSA-N. The full InChI is InChI=1S/C8H13O2.3C4H9.Sn/c1-4-8-9-6(2)5-7(3)10-8;3*1-3-4-2;/h1,4,6-8H,5H2,2-3H3;3*1,3-4H2,2H3;/t6-,7-;;;;/m1..../s1.
What are the key properties of tributyl-[(E)-2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]ethenyl]stannane?
tributyl-[(E)-2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]ethenyl]stannane has a molecular weight of 431.25 g/mol, XLogP of 6.47, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]ethenyl]stannane is sourced from PubChem (CID 11826151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).