tributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane

C26H50Sn — CID 50993250

IUPACtributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane
SMILESCCCC[Sn](/C=C/[C@H](C)C/C(C)=C/C=C/[C@@H](C)CC)(CCCC)CCCC
InChIInChI=1S/C14H23.3C4H9.Sn/c1-6-12(3)9-8-10-14(5)11-13(4)7-2;3*1-3-4-2;/h2,7-10,12-13H,6,11H2,1,3-5H3;3*1,3-4H2,2H3;/b7-2?,9-8+,14-10+;;;;/t12-,13-;;;;/m0..../s1
InChIKeyFWPQXZRXRVXXCH-DDADMKEWSA-N
MW481.40 g/mol
LogP9.51
Rot. Bonds16

About tributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane

tributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane (PubChem CID 50993250) has the molecular formula C26H50Sn and a molecular weight of 481.40 g/mol. Its IUPAC name is tributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane.

Molecular Properties

Compound Nametributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane
PubChem CID50993250
Molecular FormulaC26H50Sn
Molecular Weight481.40 g/mol
Exact Mass482.29
IUPAC Nametributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane
SMILESCCCC[Sn](/C=C/[C@H](C)C/C(C)=C/C=C/[C@@H](C)CC)(CCCC)CCCC
InChIInChI=1S/C14H23.3C4H9.Sn/c1-6-12(3)9-8-10-14(5)11-13(4)7-2;3*1-3-4-2;/h2,7-10,12-13H,6,11H2,1,3-5H3;3*1,3-4H2,2H3;/b7-2?,9-8+,14-10+;;;;/t12-,13-;;;;/m0..../s1
InChIKeyFWPQXZRXRVXXCH-DDADMKEWSA-N
XLogP9.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.40
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane with MolForge

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Related Compounds

tributyl-[(1E,3S,5E,7S,8R,9R)-8-methoxy-9-(methoxymethoxy)-3,5,7-trimethyldeca-1,5-dienyl]stannane
CID 177472834
methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate
CID 139263828
(2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol
CID 24773196
2-methyl-5-tributylstannylpenta-2,4-dien-1-ol
CID 71342873
[(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane
CID 15675034
(4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid
CID 11367593
[(E)-4-tributylstannylbut-3-en-2-yl] acetate
CID 14112699
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
tributyl-[(E)-3-ethoxybut-1-enyl]stannane
CID 10340261
(5S)-5-[(1R,4E,6R,8E,10E,12S)-1-hydroxy-6,8,12-trimethyltetradeca-2,4,8,10-tetraenyl]-5-methylfuran-2-one
CID 177484904
5-hydroxy-1-methyl-2-(5,7,11-trimethyltrideca-1,3,7,9-tetraenyl)-3,7-dioxabicyclo[4.1.0]heptan-4-one
CID 85045359
tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane
CID 14532960

Frequently Asked Questions

What is the IUPAC name of tributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane?
The IUPAC name of tributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane (CID 50993250) is tributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane.
What is the SMILES notation for tributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane?
The canonical SMILES for tributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane is CCCC[Sn](/C=C/[C@H](C)C/C(C)=C/C=C/[C@@H](C)CC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane?
The InChIKey is FWPQXZRXRVXXCH-DDADMKEWSA-N. The full InChI is InChI=1S/C14H23.3C4H9.Sn/c1-6-12(3)9-8-10-14(5)11-13(4)7-2;3*1-3-4-2;/h2,7-10,12-13H,6,11H2,1,3-5H3;3*1,3-4H2,2H3;/b7-2?,9-8+,14-10+;;;;/t12-,13-;;;;/m0..../s1.
What are the key properties of tributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane?
tributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane has a molecular weight of 481.40 g/mol, XLogP of 9.51, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane is sourced from PubChem (CID 50993250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).