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

C18H36Sn — CID 11257245

IUPACtributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane
SMILESC=C(C)C/C=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C6H9.3C4H9.Sn/c1-4-5-6(2)3;3*1-3-4-2;/h1,4H,2,5H2,3H3;3*1,3-4H2,2H3;
InChIKeyZYGGCRAHNBUOFD-UHFFFAOYSA-N
MW371.20 g/mol
LogP6.90
Rot. Bonds12

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

tributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane (PubChem CID 11257245) has the molecular formula C18H36Sn and a molecular weight of 371.20 g/mol. Its IUPAC name is tributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane.

Molecular Properties

Compound Nametributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane
PubChem CID11257245
Molecular FormulaC18H36Sn
Molecular Weight371.20 g/mol
Exact Mass372.18
IUPAC Nametributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane
SMILESC=C(C)C/C=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C6H9.3C4H9.Sn/c1-4-5-6(2)3;3*1-3-4-2;/h1,4H,2,5H2,3H3;3*1,3-4H2,2H3;
InChIKeyZYGGCRAHNBUOFD-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.20
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-tributylstannylbut-3-enoic acid
CID 11767530
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
(E)-3-tributylstannylprop-2-en-1-amine
CID 45040600
(4S)-4-methyl-1-tributylstannyloct-1-en-4-ol
CID 173361577
(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol
CID 14248080
(2Z,4E)-5-tributylstannylpenta-2,4-dien-1-ol
CID 172715105
tributyl(ethenyl)stannane
CID 159728320
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(4-tributylstannylbut-3-enoxy)stannane
CID 141193186
[(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane
CID 15675034

Frequently Asked Questions

What is the IUPAC name of tributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane?
The IUPAC name of tributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane (CID 11257245) is tributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane.
What is the SMILES notation for tributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane?
The canonical SMILES for tributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane is C=C(C)C/C=C/[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane?
The InChIKey is ZYGGCRAHNBUOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9.3C4H9.Sn/c1-4-5-6(2)3;3*1-3-4-2;/h1,4H,2,5H2,3H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane?
tributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane has a molecular weight of 371.20 g/mol, XLogP of 6.90, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane is sourced from PubChem (CID 11257245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).