dibutyltin(2+);bis(3-methylbutan-1-olate)

C18H40O2Sn — CID 23073809

IUPACdibutyltin(2+);bis(3-methylbutan-1-olate)
SMILESCC(C)CC[O-].CC(C)CC[O-].CCCC[Sn+2]CCCC
InChIInChI=1S/2C5H11O.2C4H9.Sn/c2*1-5(2)3-4-6;2*1-3-4-2;/h2*5H,3-4H2,1-2H3;2*1,3-4H2,2H3;/q2*-1;;;+2
InChIKeyLDMRTXQOZLMIPR-UHFFFAOYSA-N
MW407.23 g/mol
LogP3.91
Rot. Bonds10

About dibutyltin(2+);bis(3-methylbutan-1-olate)

dibutyltin(2+);bis(3-methylbutan-1-olate) (PubChem CID 23073809) has the molecular formula C18H40O2Sn and a molecular weight of 407.23 g/mol. Its IUPAC name is dibutyltin(2+);bis(3-methylbutan-1-olate).

Molecular Properties

Compound Namedibutyltin(2+);bis(3-methylbutan-1-olate)
PubChem CID23073809
Molecular FormulaC18H40O2Sn
Molecular Weight407.23 g/mol
Exact Mass408.21
IUPAC Namedibutyltin(2+);bis(3-methylbutan-1-olate)
SMILESCC(C)CC[O-].CC(C)CC[O-].CCCC[Sn+2]CCCC
InChIInChI=1S/2C5H11O.2C4H9.Sn/c2*1-5(2)3-4-6;2*1-3-4-2;/h2*5H,3-4H2,1-2H3;2*1,3-4H2,2H3;/q2*-1;;;+2
InChIKeyLDMRTXQOZLMIPR-UHFFFAOYSA-N
XLogP3.91
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.23
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dibutyltin(2+);bis(2-sulfanylpropanoate)
CID 53471901
dibutyltin(2+);bis(2-(6-methylheptylsulfanyl)acetate)
CID 22062378
2-methylhexane;propane
CID 143695748
di(nonyl)tin(2+)
CID 157300881
2-methylhexane;dihydrate
CID 155319003
hexane;2-methylpentane
CID 19835603
2-methylhexane;hydrochloride
CID 172797630
butyl(2-ethylhexyl)tin(2+);methanolate
CID 23025335
2-methyldecane
CID 23415
diheptyltin(2+) dichloride
CID 21324912
2-methylpentaoctacontane
CID 90745672
bis(2-methylheptane);propane
CID 158714851

Frequently Asked Questions

What is the IUPAC name of dibutyltin(2+);bis(3-methylbutan-1-olate)?
The IUPAC name of dibutyltin(2+);bis(3-methylbutan-1-olate) (CID 23073809) is dibutyltin(2+);bis(3-methylbutan-1-olate).
What is the SMILES notation for dibutyltin(2+);bis(3-methylbutan-1-olate)?
The canonical SMILES for dibutyltin(2+);bis(3-methylbutan-1-olate) is CC(C)CC[O-].CC(C)CC[O-].CCCC[Sn+2]CCCC.
What is the InChIKey of dibutyltin(2+);bis(3-methylbutan-1-olate)?
The InChIKey is LDMRTXQOZLMIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11O.2C4H9.Sn/c2*1-5(2)3-4-6;2*1-3-4-2;/h2*5H,3-4H2,1-2H3;2*1,3-4H2,2H3;/q2*-1;;;+2.
What are the key properties of dibutyltin(2+);bis(3-methylbutan-1-olate)?
dibutyltin(2+);bis(3-methylbutan-1-olate) has a molecular weight of 407.23 g/mol, XLogP of 3.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin(2+);bis(3-methylbutan-1-olate) is sourced from PubChem (CID 23073809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).