tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane

C18H36OSn — CID 10960038

IUPACtributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane
SMILESCCCC[Sn](/C=C/C=C/OCC)(CCCC)CCCC
InChIInChI=1S/C6H9O.3C4H9.Sn/c1-3-5-6-7-4-2;3*1-3-4-2;/h1,3,5-6H,4H2,2H3;3*1,3-4H2,2H3;/b3-1?,6-5+;;;;
InChIKeyQPTIHENSULSOEH-POUKTLFDSA-N
MW387.20 g/mol
LogP6.48
Rot. Bonds13

About tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane

tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane (PubChem CID 10960038) has the molecular formula C18H36OSn and a molecular weight of 387.20 g/mol. Its IUPAC name is tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane.

Molecular Properties

Compound Nametributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane
PubChem CID10960038
Molecular FormulaC18H36OSn
Molecular Weight387.20 g/mol
Exact Mass388.18
IUPAC Nametributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane
SMILESCCCC[Sn](/C=C/C=C/OCC)(CCCC)CCCC
InChIInChI=1S/C6H9O.3C4H9.Sn/c1-3-5-6-7-4-2;3*1-3-4-2;/h1,3,5-6H,4H2,2H3;3*1,3-4H2,2H3;/b3-1?,6-5+;;;;
InChIKeyQPTIHENSULSOEH-POUKTLFDSA-N
XLogP6.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.20
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
(2Z,4E)-5-tributylstannylpenta-2,4-dien-1-ol
CID 172715105
(3E)-1,4-diethoxybuta-1,3-diene
CID 173199605
tributyl-[(E)-3-ethoxybut-1-enyl]stannane
CID 10340261
tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane
CID 14592139
tributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane
CID 71358263
2-methyl-5-tributylstannylpenta-2,4-dien-1-ol
CID 71342873
trimethyl-[(Z)-2-tributylstannylethenyl]silane
CID 12516692
tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane
CID 10574786
tributyl-[(E)-2-diethoxyphosphorylethenyl]stannane
CID 177387685
[(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane
CID 15675034
(E)-3-tributylstannylprop-2-en-1-amine
CID 45040600

Frequently Asked Questions

What is the IUPAC name of tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane?
The IUPAC name of tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane (CID 10960038) is tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane.
What is the SMILES notation for tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane?
The canonical SMILES for tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane is CCCC[Sn](/C=C/C=C/OCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane?
The InChIKey is QPTIHENSULSOEH-POUKTLFDSA-N. The full InChI is InChI=1S/C6H9O.3C4H9.Sn/c1-3-5-6-7-4-2;3*1-3-4-2;/h1,3,5-6H,4H2,2H3;3*1,3-4H2,2H3;/b3-1?,6-5+;;;;.
What are the key properties of tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane?
tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane has a molecular weight of 387.20 g/mol, XLogP of 6.48, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane is sourced from PubChem (CID 10960038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).