tributyl(octa-1,2-dien-3-yl)stannane

C20H40Sn — CID 11418130

IUPACtributyl(octa-1,2-dien-3-yl)stannane
SMILESC=C=C(CCCCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H13.3C4H9.Sn/c1-3-5-7-8-6-4-2;3*1-3-4-2;/h1,4,6-8H2,2H3;3*1,3-4H2,2H3;
InChIKeyOUBOJVNYMRJZCH-UHFFFAOYSA-N
MW399.25 g/mol
LogP7.67
Rot. Bonds14

About tributyl(octa-1,2-dien-3-yl)stannane

tributyl(octa-1,2-dien-3-yl)stannane (PubChem CID 11418130) has the molecular formula C20H40Sn and a molecular weight of 399.25 g/mol. Its IUPAC name is tributyl(octa-1,2-dien-3-yl)stannane.

Molecular Properties

Compound Nametributyl(octa-1,2-dien-3-yl)stannane
PubChem CID11418130
Molecular FormulaC20H40Sn
Molecular Weight399.25 g/mol
Exact Mass400.22
IUPAC Nametributyl(octa-1,2-dien-3-yl)stannane
SMILESC=C=C(CCCCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H13.3C4H9.Sn/c1-3-5-7-8-6-4-2;3*1-3-4-2;/h1,4,6-8H2,2H3;3*1,3-4H2,2H3;
InChIKeyOUBOJVNYMRJZCH-UHFFFAOYSA-N
XLogP7.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.25
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tributyl(octa-1,2-dien-3-yl)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

Tributyl(hex-1-en-2-yl)stannane
CID 11036097
Tributyl(oct-1-en-2-yl)stannane
CID 14660627
Tributyl(undeca-2,3-dien-2-yl)stannane
CID 10455956
tributyl-[(E)-hept-1-enyl]stannane
CID 11090348
Tributyl(octa-1,2-dienyl)stannane
CID 12140102
Trimethyl(octa-1,2-dien-3-yl)stannane
CID 13990613
Tributyl(dec-1-en-2-yl)stannane
CID 14784453
Tributyl(undeca-2,3-dien-4-yl)stannane
CID 14809294
Tributyl(hepta-1,2-dienyl)stannane
CID 15424020
Tributyl(nona-1,2-dien-3-yl)stannane
CID 86089506
Trimethyl(tridec-1-en-2-yl)stannane
CID 134895407
Tributyl(penta-1,2-dien-3-yl)stannane
CID 134897777

Frequently Asked Questions

What is the IUPAC name of tributyl(octa-1,2-dien-3-yl)stannane?
The IUPAC name of tributyl(octa-1,2-dien-3-yl)stannane (CID 11418130) is tributyl(octa-1,2-dien-3-yl)stannane.
What is the SMILES notation for tributyl(octa-1,2-dien-3-yl)stannane?
The canonical SMILES for tributyl(octa-1,2-dien-3-yl)stannane is C=C=C(CCCCC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(octa-1,2-dien-3-yl)stannane?
The InChIKey is OUBOJVNYMRJZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13.3C4H9.Sn/c1-3-5-7-8-6-4-2;3*1-3-4-2;/h1,4,6-8H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl(octa-1,2-dien-3-yl)stannane?
tributyl(octa-1,2-dien-3-yl)stannane has a molecular weight of 399.25 g/mol, XLogP of 7.67, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(octa-1,2-dien-3-yl)stannane is sourced from PubChem (CID 11418130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).