λ2-stannane;5,5,5-trichloropentan-2-one

C5H9Cl3OSn — CID 171039325

IUPACλ2-stannane;5,5,5-trichloropentan-2-one
SMILESCC(=O)CCC(Cl)(Cl)Cl.[SnH2]
InChIInChI=1S/C5H7Cl3O.Sn.2H/c1-4(9)2-3-5(6,7)8;;;/h2-3H2,1H3;;;
InChIKeyQRFGLCRQKAWHQK-UHFFFAOYSA-N
MW310.20 g/mol
LogP1.81
Rot. Bonds2

About λ2-stannane;5,5,5-trichloropentan-2-one

λ2-stannane;5,5,5-trichloropentan-2-one (PubChem CID 171039325) has the molecular formula C5H9Cl3OSn and a molecular weight of 310.20 g/mol. Its IUPAC name is λ2-stannane;5,5,5-trichloropentan-2-one.

Molecular Properties

Compound Nameλ2-stannane;5,5,5-trichloropentan-2-one
PubChem CID171039325
Molecular FormulaC5H9Cl3OSn
Molecular Weight310.20 g/mol
Exact Mass309.87
IUPAC Nameλ2-stannane;5,5,5-trichloropentan-2-one
SMILESCC(=O)CCC(Cl)(Cl)Cl.[SnH2]
InChIInChI=1S/C5H7Cl3O.Sn.2H/c1-4(9)2-3-5(6,7)8;;;/h2-3H2,1H3;;;
InChIKeyQRFGLCRQKAWHQK-UHFFFAOYSA-N
XLogP1.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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hexane-2,5-dione
CID 8035
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CID 140531425
propan-2-one;1,1,1,2-tetrachloroethane
CID 19428789
5-ethyl-5-hydroxyheptan-2-one
CID 114494669
(E)-8,8,8-trichlorooct-5-en-2-one
CID 23335623
3,3,3-trichloropropyl acetate
CID 14970937
4-oxopentane-1,1,1-tricarbonitrile
CID 139217373
(5R)-5-hydroxy-5,6-dimethylheptan-2-one
CID 14824861
(2-methoxy-2-oxoethyl) 4,4,4-trichlorobutanoate
CID 174612950
5-hydroxypentan-2-one
CID 162230963
acetic acid;bis(1,1,1-trichloropropane)
CID 173372937

Frequently Asked Questions

What is the IUPAC name of λ2-stannane;5,5,5-trichloropentan-2-one?
The IUPAC name of λ2-stannane;5,5,5-trichloropentan-2-one (CID 171039325) is λ2-stannane;5,5,5-trichloropentan-2-one.
What is the SMILES notation for λ2-stannane;5,5,5-trichloropentan-2-one?
The canonical SMILES for λ2-stannane;5,5,5-trichloropentan-2-one is CC(=O)CCC(Cl)(Cl)Cl.[SnH2].
What is the InChIKey of λ2-stannane;5,5,5-trichloropentan-2-one?
The InChIKey is QRFGLCRQKAWHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl3O.Sn.2H/c1-4(9)2-3-5(6,7)8;;;/h2-3H2,1H3;;;.
What are the key properties of λ2-stannane;5,5,5-trichloropentan-2-one?
λ2-stannane;5,5,5-trichloropentan-2-one has a molecular weight of 310.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for λ2-stannane;5,5,5-trichloropentan-2-one is sourced from PubChem (CID 171039325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).