tributyl(4-methylpenta-1,2,3-trienyl)stannane

C18H34Sn — CID 12730937

IUPACtributyl(4-methylpenta-1,2,3-trienyl)stannane
SMILESCCCC[Sn](C=C=C=C(C)C)(CCCC)CCCC
InChIInChI=1S/C6H7.3C4H9.Sn/c1-4-5-6(2)3;3*1-3-4-2;/h1H,2-3H3;3*1,3-4H2,2H3;
InChIKeyWJERQKQVPGIJRR-UHFFFAOYSA-N
MW369.18 g/mol
LogP6.65
Rot. Bonds10

About tributyl(4-methylpenta-1,2,3-trienyl)stannane

tributyl(4-methylpenta-1,2,3-trienyl)stannane (PubChem CID 12730937) has the molecular formula C18H34Sn and a molecular weight of 369.18 g/mol. Its IUPAC name is tributyl(4-methylpenta-1,2,3-trienyl)stannane.

Molecular Properties

Compound Nametributyl(4-methylpenta-1,2,3-trienyl)stannane
PubChem CID12730937
Molecular FormulaC18H34Sn
Molecular Weight369.18 g/mol
Exact Mass370.17
IUPAC Nametributyl(4-methylpenta-1,2,3-trienyl)stannane
SMILESCCCC[Sn](C=C=C=C(C)C)(CCCC)CCCC
InChIInChI=1S/C6H7.3C4H9.Sn/c1-4-5-6(2)3;3*1-3-4-2;/h1H,2-3H3;3*1,3-4H2,2H3;
InChIKeyWJERQKQVPGIJRR-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.18
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Tributyl(3-methyl-2-butenyl)tin
CID 2734722
Tributyl(2-methylprop-1-enyl)stannane
CID 11759721
Methallyltri-n-butyltin
CID 11013379
Tributyl(2-tributylstannylprop-2-enyl)stannane
CID 10919202
Triethyl(2-methylprop-2-enyl)stannane
CID 12566597
Tributyl(4-methylpenta-1,2,3-trienyl)germane
CID 12730934
Triethyl(4-methylpenta-1,2,3-trienyl)stannane
CID 12730936
Tributyl(2,3-dimethylbut-2-en-1-yl)stannane
CID 14226850
Buta-1,2-dienyl(tributyl)stannane
CID 10712373
Buta-2,3-dienyl(tributyl)stannane
CID 10947883
Tributyl(penta-2,3-dien-2-yl)stannane
CID 11602882
2-Methylene-1,3-propanediylbis(trimethylstannane)
CID 13117839

Frequently Asked Questions

What is the IUPAC name of tributyl(4-methylpenta-1,2,3-trienyl)stannane?
The IUPAC name of tributyl(4-methylpenta-1,2,3-trienyl)stannane (CID 12730937) is tributyl(4-methylpenta-1,2,3-trienyl)stannane.
What is the SMILES notation for tributyl(4-methylpenta-1,2,3-trienyl)stannane?
The canonical SMILES for tributyl(4-methylpenta-1,2,3-trienyl)stannane is CCCC[Sn](C=C=C=C(C)C)(CCCC)CCCC.
What is the InChIKey of tributyl(4-methylpenta-1,2,3-trienyl)stannane?
The InChIKey is WJERQKQVPGIJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.3C4H9.Sn/c1-4-5-6(2)3;3*1-3-4-2;/h1H,2-3H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl(4-methylpenta-1,2,3-trienyl)stannane?
tributyl(4-methylpenta-1,2,3-trienyl)stannane has a molecular weight of 369.18 g/mol, XLogP of 6.65, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(4-methylpenta-1,2,3-trienyl)stannane is sourced from PubChem (CID 12730937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).