acetic acid;bis(dibutyltin);hydrate

C24H54O9Sn2 — CID 173025029

IUPACacetic acid;bis(dibutyltin);hydrate
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCCC[Sn]CCCC.CCCC[Sn]CCCC.O
InChIInChI=1S/4C4H9.4C2H4O2.H2O.2Sn/c4*1-3-4-2;4*1-2(3)4;;;/h4*1,3-4H2,2H3;4*1H3,(H,3,4);1H2;;
InChIKeyZJKLNZKFUWRTAY-UHFFFAOYSA-N
MW724.11 g/mol
LogP5.79
Rot. Bonds12

About acetic acid;bis(dibutyltin);hydrate

acetic acid;bis(dibutyltin);hydrate (PubChem CID 173025029) has the molecular formula C24H54O9Sn2 and a molecular weight of 724.11 g/mol. Its IUPAC name is acetic acid;bis(dibutyltin);hydrate.

Molecular Properties

Compound Nameacetic acid;bis(dibutyltin);hydrate
PubChem CID173025029
Molecular FormulaC24H54O9Sn2
Molecular Weight724.11 g/mol
Exact Mass726.18
IUPAC Nameacetic acid;bis(dibutyltin);hydrate
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCCC[Sn]CCCC.CCCC[Sn]CCCC.O
InChIInChI=1S/4C4H9.4C2H4O2.H2O.2Sn/c4*1-3-4-2;4*1-2(3)4;;;/h4*1,3-4H2,2H3;4*1H3,(H,3,4);1H2;;
InChIKeyZJKLNZKFUWRTAY-UHFFFAOYSA-N
XLogP5.79
TPSA180.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.11
LogP ≤ 55.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze acetic acid;bis(dibutyltin);hydrate 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

(Z)-but-2-enedioic acid;dibutyltin;hydron
CID 175099515
dibutyltin;2-hydroxyacetic acid
CID 87134972
dibutyltin
CID 6484
CID 159910043
CID 159910043
dibutyltin;tetrakis(dodecanoic acid)
CID 173333361
dibutyltin;λ2-stannane
CID 174939385
dibutyltin;silane
CID 163880557
dibutyltin;bis(2-methylprop-2-enoic acid);prop-2-enoic acid
CID 173393267
chloro hypochlorite;dibutyltin
CID 87460481
acetic acid;decane
CID 172853582
acetic acid;nonane
CID 174272180
dibutyltin;tris(ethane-1,1,1,2,2,2-hexol)
CID 173133836

Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(dibutyltin);hydrate?
The IUPAC name of acetic acid;bis(dibutyltin);hydrate (CID 173025029) is acetic acid;bis(dibutyltin);hydrate.
What is the SMILES notation for acetic acid;bis(dibutyltin);hydrate?
The canonical SMILES for acetic acid;bis(dibutyltin);hydrate is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCCC[Sn]CCCC.CCCC[Sn]CCCC.O.
What is the InChIKey of acetic acid;bis(dibutyltin);hydrate?
The InChIKey is ZJKLNZKFUWRTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H9.4C2H4O2.H2O.2Sn/c4*1-3-4-2;4*1-2(3)4;;;/h4*1,3-4H2,2H3;4*1H3,(H,3,4);1H2;;.
What are the key properties of acetic acid;bis(dibutyltin);hydrate?
acetic acid;bis(dibutyltin);hydrate has a molecular weight of 724.11 g/mol, XLogP of 5.79, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(dibutyltin);hydrate is sourced from PubChem (CID 173025029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).