1-trichlorostannylpentane-2,4-dione

C5H7Cl3O2Sn — CID 88802270

IUPAC1-trichlorostannylpentane-2,4-dione
SMILESCC(=O)CC(=O)C[Sn](Cl)(Cl)Cl
InChIInChI=1S/C5H7O2.3ClH.Sn/c1-4(6)3-5(2)7;;;;/h1,3H2,2H3;3*1H;/q;;;;+3/p-3
InChIKeyCDTLAQVSJBHHHU-UHFFFAOYSA-K
MW324.18 g/mol
LogP2.19
Rot. Bonds4

About 1-trichlorostannylpentane-2,4-dione

1-trichlorostannylpentane-2,4-dione (PubChem CID 88802270) has the molecular formula C5H7Cl3O2Sn and a molecular weight of 324.18 g/mol. Its IUPAC name is 1-trichlorostannylpentane-2,4-dione.

Molecular Properties

Compound Name1-trichlorostannylpentane-2,4-dione
PubChem CID88802270
Molecular FormulaC5H7Cl3O2Sn
Molecular Weight324.18 g/mol
Exact Mass323.85
IUPAC Name1-trichlorostannylpentane-2,4-dione
SMILESCC(=O)CC(=O)C[Sn](Cl)(Cl)Cl
InChIInChI=1S/C5H7O2.3ClH.Sn/c1-4(6)3-5(2)7;;;;/h1,3H2,2H3;3*1H;/q;;;;+3/p-3
InChIKeyCDTLAQVSJBHHHU-UHFFFAOYSA-K
XLogP2.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

undecane-2,4,6,8,10-pentone
CID 174158301
3,5-dioxohexanoyl chloride
CID 130027067
Lithium pentane-2,4-dione
CID 86735745
hexane-2,4-dione;platinum
CID 161447923
CID 87579488
CID 87579488
CID 159548628
CID 159548628
CID 87073525
CID 87073525
ethane;tris(pentane-2,4-dione)
CID 158826280
molybdenum(4+);tetrakis(pentane-2,4-dione)
CID 11705952
potassium pentane-2,4-dione
CID 19762724
barium(2+);pentane-2,4-dione
CID 23298949
CID 15855332
CID 15855332

Frequently Asked Questions

What is the IUPAC name of 1-trichlorostannylpentane-2,4-dione?
The IUPAC name of 1-trichlorostannylpentane-2,4-dione (CID 88802270) is 1-trichlorostannylpentane-2,4-dione.
What is the SMILES notation for 1-trichlorostannylpentane-2,4-dione?
The canonical SMILES for 1-trichlorostannylpentane-2,4-dione is CC(=O)CC(=O)C[Sn](Cl)(Cl)Cl.
What is the InChIKey of 1-trichlorostannylpentane-2,4-dione?
The InChIKey is CDTLAQVSJBHHHU-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H7O2.3ClH.Sn/c1-4(6)3-5(2)7;;;;/h1,3H2,2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of 1-trichlorostannylpentane-2,4-dione?
1-trichlorostannylpentane-2,4-dione has a molecular weight of 324.18 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trichlorostannylpentane-2,4-dione is sourced from PubChem (CID 88802270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).