1-but-1-enoxybut-1-ene;dibutyltin

C16H32OSn — CID 175169500

IUPAC1-but-1-enoxybut-1-ene;dibutyltin
SMILESCCC=COC=CCC.CCCC[Sn]CCCC
InChIInChI=1S/C8H14O.2C4H9.Sn/c1-3-5-7-9-8-6-4-2;2*1-3-4-2;/h5-8H,3-4H2,1-2H3;2*1,3-4H2,2H3;
InChIKeyVPRHXOBFAYNNHG-UHFFFAOYSA-N
MW359.14 g/mol
LogP5.98
Rot. Bonds10

About 1-but-1-enoxybut-1-ene;dibutyltin

1-but-1-enoxybut-1-ene;dibutyltin (PubChem CID 175169500) has the molecular formula C16H32OSn and a molecular weight of 359.14 g/mol. Its IUPAC name is 1-but-1-enoxybut-1-ene;dibutyltin.

Molecular Properties

Compound Name1-but-1-enoxybut-1-ene;dibutyltin
PubChem CID175169500
Molecular FormulaC16H32OSn
Molecular Weight359.14 g/mol
Exact Mass360.15
IUPAC Name1-but-1-enoxybut-1-ene;dibutyltin
SMILESCCC=COC=CCC.CCCC[Sn]CCCC
InChIInChI=1S/C8H14O.2C4H9.Sn/c1-3-5-7-9-8-6-4-2;2*1-3-4-2;/h5-8H,3-4H2,1-2H3;2*1,3-4H2,2H3;
InChIKeyVPRHXOBFAYNNHG-UHFFFAOYSA-N
XLogP5.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.14
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-but-1-enoxybut-1-ene;dibutyltin 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

dibutyltin
CID 6484
dibutyltin;λ2-stannane
CID 174939385
dibutyltin;methane
CID 158142869
dibutyltin;silane
CID 163880557
(E)-1-[(Z)-but-1-enoxy]pent-1-ene
CID 173340391
chloro hypochlorite;dibutyltin
CID 87460481
1-butoxybutane;dibutyltin
CID 87184018
CID 159910043
CID 159910043
1-triacont-1-enoxytriacont-1-ene
CID 173373575
1-[(E)-but-1-enoxy]butane
CID 5364928
1-hexadec-1-enoxyhexadec-1-ene
CID 57140599
dibutyltin;dimethoxysilane
CID 157060986

Frequently Asked Questions

What is the IUPAC name of 1-but-1-enoxybut-1-ene;dibutyltin?
The IUPAC name of 1-but-1-enoxybut-1-ene;dibutyltin (CID 175169500) is 1-but-1-enoxybut-1-ene;dibutyltin.
What is the SMILES notation for 1-but-1-enoxybut-1-ene;dibutyltin?
The canonical SMILES for 1-but-1-enoxybut-1-ene;dibutyltin is CCC=COC=CCC.CCCC[Sn]CCCC.
What is the InChIKey of 1-but-1-enoxybut-1-ene;dibutyltin?
The InChIKey is VPRHXOBFAYNNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.2C4H9.Sn/c1-3-5-7-9-8-6-4-2;2*1-3-4-2;/h5-8H,3-4H2,1-2H3;2*1,3-4H2,2H3;.
What are the key properties of 1-but-1-enoxybut-1-ene;dibutyltin?
1-but-1-enoxybut-1-ene;dibutyltin has a molecular weight of 359.14 g/mol, XLogP of 5.98, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enoxybut-1-ene;dibutyltin is sourced from PubChem (CID 175169500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).