tributyl-[(3S)-3-ethoxybut-1-ynyl]stannane

C18H36OSn — CID 15383480

IUPACtributyl-[(3S)-3-ethoxybut-1-ynyl]stannane
SMILESCCCC[Sn](C#C[C@H](C)OCC)(CCCC)CCCC
InChIInChI=1S/C6H9O.3C4H9.Sn/c1-4-6(3)7-5-2;3*1-3-4-2;/h6H,5H2,2-3H3;3*1,3-4H2,2H3;/t6-;;;;/m0..../s1
InChIKeyAETLIVVAVRKMTR-MAJYTBHHSA-N
MW387.20 g/mol
LogP5.80
Rot. Bonds11

About tributyl-[(3S)-3-ethoxybut-1-ynyl]stannane

tributyl-[(3S)-3-ethoxybut-1-ynyl]stannane (PubChem CID 15383480) has the molecular formula C18H36OSn and a molecular weight of 387.20 g/mol. Its IUPAC name is tributyl-[(3S)-3-ethoxybut-1-ynyl]stannane.

Molecular Properties

Compound Nametributyl-[(3S)-3-ethoxybut-1-ynyl]stannane
PubChem CID15383480
Molecular FormulaC18H36OSn
Molecular Weight387.20 g/mol
Exact Mass388.18
IUPAC Nametributyl-[(3S)-3-ethoxybut-1-ynyl]stannane
SMILESCCCC[Sn](C#C[C@H](C)OCC)(CCCC)CCCC
InChIInChI=1S/C6H9O.3C4H9.Sn/c1-4-6(3)7-5-2;3*1-3-4-2;/h6H,5H2,2-3H3;3*1,3-4H2,2H3;/t6-;;;;/m0..../s1
InChIKeyAETLIVVAVRKMTR-MAJYTBHHSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.20
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(3S)-3-ethoxybut-1-ynyl]stannane?
The IUPAC name of tributyl-[(3S)-3-ethoxybut-1-ynyl]stannane (CID 15383480) is tributyl-[(3S)-3-ethoxybut-1-ynyl]stannane.
What is the SMILES notation for tributyl-[(3S)-3-ethoxybut-1-ynyl]stannane?
The canonical SMILES for tributyl-[(3S)-3-ethoxybut-1-ynyl]stannane is CCCC[Sn](C#C[C@H](C)OCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(3S)-3-ethoxybut-1-ynyl]stannane?
The InChIKey is AETLIVVAVRKMTR-MAJYTBHHSA-N. The full InChI is InChI=1S/C6H9O.3C4H9.Sn/c1-4-6(3)7-5-2;3*1-3-4-2;/h6H,5H2,2-3H3;3*1,3-4H2,2H3;/t6-;;;;/m0..../s1.
What are the key properties of tributyl-[(3S)-3-ethoxybut-1-ynyl]stannane?
tributyl-[(3S)-3-ethoxybut-1-ynyl]stannane has a molecular weight of 387.20 g/mol, XLogP of 5.80, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(3S)-3-ethoxybut-1-ynyl]stannane is sourced from PubChem (CID 15383480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).