[(4E)-4-benzylideneoxolan-3-yl]methyl-tributylstannane

C24H40OSn — CID 11271203

IUPAC[(4E)-4-benzylideneoxolan-3-yl]methyl-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)CC1COC/C1=C/c1ccccc1
InChIInChI=1S/C12H13O.3C4H9.Sn/c1-10-8-13-9-12(10)7-11-5-3-2-4-6-11;3*1-3-4-2;/h2-7,10H,1,8-9H2;3*1,3-4H2,2H3;/b12-7-;;;;
InChIKeyBKMCAPAWVAJGSJ-ZYBMAYOESA-N
MW463.29 g/mol
LogP7.57
Rot. Bonds12

About [(4E)-4-benzylideneoxolan-3-yl]methyl-tributylstannane

[(4E)-4-benzylideneoxolan-3-yl]methyl-tributylstannane (PubChem CID 11271203) has the molecular formula C24H40OSn and a molecular weight of 463.29 g/mol. Its IUPAC name is [(4E)-4-benzylideneoxolan-3-yl]methyl-tributylstannane.

Molecular Properties

Compound Name[(4E)-4-benzylideneoxolan-3-yl]methyl-tributylstannane
PubChem CID11271203
Molecular FormulaC24H40OSn
Molecular Weight463.29 g/mol
Exact Mass464.21
IUPAC Name[(4E)-4-benzylideneoxolan-3-yl]methyl-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)CC1COC/C1=C/c1ccccc1
InChIInChI=1S/C12H13O.3C4H9.Sn/c1-10-8-13-9-12(10)7-11-5-3-2-4-6-11;3*1-3-4-2;/h2-7,10H,1,8-9H2;3*1,3-4H2,2H3;/b12-7-;;;;
InChIKeyBKMCAPAWVAJGSJ-ZYBMAYOESA-N
XLogP7.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.29
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(4E)-4-benzylideneoxolan-3-yl]methyl-tributylstannane?
The IUPAC name of [(4E)-4-benzylideneoxolan-3-yl]methyl-tributylstannane (CID 11271203) is [(4E)-4-benzylideneoxolan-3-yl]methyl-tributylstannane.
What is the SMILES notation for [(4E)-4-benzylideneoxolan-3-yl]methyl-tributylstannane?
The canonical SMILES for [(4E)-4-benzylideneoxolan-3-yl]methyl-tributylstannane is CCCC[Sn](CCCC)(CCCC)CC1COC/C1=C/c1ccccc1.
What is the InChIKey of [(4E)-4-benzylideneoxolan-3-yl]methyl-tributylstannane?
The InChIKey is BKMCAPAWVAJGSJ-ZYBMAYOESA-N. The full InChI is InChI=1S/C12H13O.3C4H9.Sn/c1-10-8-13-9-12(10)7-11-5-3-2-4-6-11;3*1-3-4-2;/h2-7,10H,1,8-9H2;3*1,3-4H2,2H3;/b12-7-;;;;.
What are the key properties of [(4E)-4-benzylideneoxolan-3-yl]methyl-tributylstannane?
[(4E)-4-benzylideneoxolan-3-yl]methyl-tributylstannane has a molecular weight of 463.29 g/mol, XLogP of 7.57, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-4-benzylideneoxolan-3-yl]methyl-tributylstannane is sourced from PubChem (CID 11271203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).