acetyl 2,4-dioxopentanoate;dibutyltin

C15H26O5Sn — CID 175430197

IUPACacetyl 2,4-dioxopentanoate;dibutyltin
SMILESCC(=O)CC(=O)C(=O)OC(C)=O.CCCC[Sn]CCCC
InChIInChI=1S/C7H8O5.2C4H9.Sn/c1-4(8)3-6(10)7(11)12-5(2)9;2*1-3-4-2;/h3H2,1-2H3;2*1,3-4H2,2H3;
InChIKeyHPINCDOYUAHYPU-UHFFFAOYSA-N
MW405.08 g/mol
LogP2.75
Rot. Bonds9

About acetyl 2,4-dioxopentanoate;dibutyltin

acetyl 2,4-dioxopentanoate;dibutyltin (PubChem CID 175430197) has the molecular formula C15H26O5Sn and a molecular weight of 405.08 g/mol. Its IUPAC name is acetyl 2,4-dioxopentanoate;dibutyltin.

Molecular Properties

Compound Nameacetyl 2,4-dioxopentanoate;dibutyltin
PubChem CID175430197
Molecular FormulaC15H26O5Sn
Molecular Weight405.08 g/mol
Exact Mass406.08
IUPAC Nameacetyl 2,4-dioxopentanoate;dibutyltin
SMILESCC(=O)CC(=O)C(=O)OC(C)=O.CCCC[Sn]CCCC
InChIInChI=1S/C7H8O5.2C4H9.Sn/c1-4(8)3-6(10)7(11)12-5(2)9;2*1-3-4-2;/h3H2,1-2H3;2*1,3-4H2,2H3;
InChIKeyHPINCDOYUAHYPU-UHFFFAOYSA-N
XLogP2.75
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.08
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

CID 159910043
CID 159910043
acetic acid;bis(dibutyltin);hydrate
CID 173025029
acetyl 2-oxoundecanoate;zinc
CID 175267632
dibutyltin
CID 6484
butyl(3-hydroxypropyl)tin
CID 177489361
pentane;pentane-2,4-dione
CID 91463121
dibutyltin;2-hydroxyacetic acid
CID 87134972
sodium propyl 2,4-dioxopentanoate
CID 91996636
dibutyltin;λ2-stannane
CID 174939385
dibutyltin;silane
CID 163880557
butan-1-ol;pentane-2,4-dione
CID 172713132
butan-1-ol;2,4-dioxopentanoic acid;zirconium
CID 174576253

Frequently Asked Questions

What is the IUPAC name of acetyl 2,4-dioxopentanoate;dibutyltin?
The IUPAC name of acetyl 2,4-dioxopentanoate;dibutyltin (CID 175430197) is acetyl 2,4-dioxopentanoate;dibutyltin.
What is the SMILES notation for acetyl 2,4-dioxopentanoate;dibutyltin?
The canonical SMILES for acetyl 2,4-dioxopentanoate;dibutyltin is CC(=O)CC(=O)C(=O)OC(C)=O.CCCC[Sn]CCCC.
What is the InChIKey of acetyl 2,4-dioxopentanoate;dibutyltin?
The InChIKey is HPINCDOYUAHYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O5.2C4H9.Sn/c1-4(8)3-6(10)7(11)12-5(2)9;2*1-3-4-2;/h3H2,1-2H3;2*1,3-4H2,2H3;.
What are the key properties of acetyl 2,4-dioxopentanoate;dibutyltin?
acetyl 2,4-dioxopentanoate;dibutyltin has a molecular weight of 405.08 g/mol, XLogP of 2.75, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2,4-dioxopentanoate;dibutyltin is sourced from PubChem (CID 175430197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).