tributyl-[(1S,3R,8S,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-en-6-yl]stannane

C23H42O3Sn — CID 10719680

IUPACtributyl-[(1S,3R,8S,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-en-6-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1=CC[C@H]2O[C@H]3CCCO[C@@H]3C[C@@H]2O1
InChIInChI=1S/C11H15O3.3C4H9.Sn/c1-3-8-10(12-5-1)7-11-9(14-8)4-2-6-13-11;3*1-3-4-2;/h1,8-11H,2-4,6-7H2;3*1,3-4H2,2H3;/t8-,9+,10+,11-;;;;/m1..../s1
InChIKeyLJZNGKCLFXXNDC-CSADQDOPSA-N
MW485.30 g/mol
LogP6.38
Rot. Bonds10

About tributyl-[(1S,3R,8S,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-en-6-yl]stannane

tributyl-[(1S,3R,8S,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-en-6-yl]stannane (PubChem CID 10719680) has the molecular formula C23H42O3Sn and a molecular weight of 485.30 g/mol. Its IUPAC name is tributyl-[(1S,3R,8S,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-en-6-yl]stannane.

Molecular Properties

Compound Nametributyl-[(1S,3R,8S,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-en-6-yl]stannane
PubChem CID10719680
Molecular FormulaC23H42O3Sn
Molecular Weight485.30 g/mol
Exact Mass486.22
IUPAC Nametributyl-[(1S,3R,8S,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-en-6-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1=CC[C@H]2O[C@H]3CCCO[C@@H]3C[C@@H]2O1
InChIInChI=1S/C11H15O3.3C4H9.Sn/c1-3-8-10(12-5-1)7-11-9(14-8)4-2-6-13-11;3*1-3-4-2;/h1,8-11H,2-4,6-7H2;3*1,3-4H2,2H3;/t8-,9+,10+,11-;;;;/m1..../s1
InChIKeyLJZNGKCLFXXNDC-CSADQDOPSA-N
XLogP6.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.30
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(1S,3R,8S,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-en-6-yl]stannane?
The IUPAC name of tributyl-[(1S,3R,8S,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-en-6-yl]stannane (CID 10719680) is tributyl-[(1S,3R,8S,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-en-6-yl]stannane.
What is the SMILES notation for tributyl-[(1S,3R,8S,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-en-6-yl]stannane?
The canonical SMILES for tributyl-[(1S,3R,8S,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-en-6-yl]stannane is CCCC[Sn](CCCC)(CCCC)C1=CC[C@H]2O[C@H]3CCCO[C@@H]3C[C@@H]2O1.
What is the InChIKey of tributyl-[(1S,3R,8S,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-en-6-yl]stannane?
The InChIKey is LJZNGKCLFXXNDC-CSADQDOPSA-N. The full InChI is InChI=1S/C11H15O3.3C4H9.Sn/c1-3-8-10(12-5-1)7-11-9(14-8)4-2-6-13-11;3*1-3-4-2;/h1,8-11H,2-4,6-7H2;3*1,3-4H2,2H3;/t8-,9+,10+,11-;;;;/m1..../s1.
What are the key properties of tributyl-[(1S,3R,8S,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-en-6-yl]stannane?
tributyl-[(1S,3R,8S,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-en-6-yl]stannane has a molecular weight of 485.30 g/mol, XLogP of 6.38, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(1S,3R,8S,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-en-6-yl]stannane is sourced from PubChem (CID 10719680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).