5,5-Dichloro-3-ethylpentan-2-one--lambda~2~-stannane (1/1)

C7H12Cl2OSn — CID 71393770

IUPAC—
SMILESCCC(CC(Cl)Cl)C(C)=O.[Sn]
InChIInChI=1S/C7H12Cl2O.Sn/c1-3-6(5(2)10)4-7(8)9;/h6-7H,3-4H2,1-2H3;
InChIKeyLZMXTPZUXMIKHY-UHFFFAOYSA-N
MW301.79 g/mol
LogP2.41
Rot. Bonds4

About 5,5-Dichloro-3-ethylpentan-2-one--lambda~2~-stannane (1/1)

5,5-Dichloro-3-ethylpentan-2-one--lambda~2~-stannane (1/1) (PubChem CID 71393770) has the molecular formula C7H12Cl2OSn and a molecular weight of 301.79 g/mol.

Molecular Properties

Compound Name5,5-Dichloro-3-ethylpentan-2-one--lambda~2~-stannane (1/1)
PubChem CID71393770
Molecular FormulaC7H12Cl2OSn
Molecular Weight301.79 g/mol
Exact Mass301.93
IUPAC Name—
SMILESCCC(CC(Cl)Cl)C(C)=O.[Sn]
InChIInChI=1S/C7H12Cl2O.Sn/c1-3-6(5(2)10)4-7(8)9;/h6-7H,3-4H2,1-2H3;
InChIKeyLZMXTPZUXMIKHY-UHFFFAOYSA-N
XLogP2.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 52.41
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

ethane;3-ethyl-5-methylhexan-2-one
CID 143623383
1,1-dichloropropane;propan-2-one
CID 174776719
3-ethylhept-5-yn-2-one
CID 62310973
6-ethoxy-3-ethyl-5-hydroxyhexan-2-one
CID 79428529
3-[(hydroxyamino)methyl]pentan-2-one
CID 141217416
3-ethyl-5-fluoropentan-2-one
CID 80696730
3-ethylhex-5-en-2-one
CID 58995117
3-(ethylaminomethyl)pentan-2-one
CID 143094053
sodium 3-ethyl-4-oxopentanoate
CID 158418112
4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide
CID 58690119
4-acetyl-2-ethyl-6-methyloctanamide
CID 58825488
3-acetyl-1-(iodomethyl)nonadecane-1,5,7,9,11,13,15,17-octacarboxylic acid
CID 89299677

Frequently Asked Questions

What is the IUPAC name of 5,5-Dichloro-3-ethylpentan-2-one--lambda~2~-stannane (1/1)?
The IUPAC name of 5,5-Dichloro-3-ethylpentan-2-one--lambda~2~-stannane (1/1) (CID 71393770) is not available.
What is the SMILES notation for 5,5-Dichloro-3-ethylpentan-2-one--lambda~2~-stannane (1/1)?
The canonical SMILES for 5,5-Dichloro-3-ethylpentan-2-one--lambda~2~-stannane (1/1) is CCC(CC(Cl)Cl)C(C)=O.[Sn].
What is the InChIKey of 5,5-Dichloro-3-ethylpentan-2-one--lambda~2~-stannane (1/1)?
The InChIKey is LZMXTPZUXMIKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2O.Sn/c1-3-6(5(2)10)4-7(8)9;/h6-7H,3-4H2,1-2H3;.
What are the key properties of 5,5-Dichloro-3-ethylpentan-2-one--lambda~2~-stannane (1/1)?
5,5-Dichloro-3-ethylpentan-2-one--lambda~2~-stannane (1/1) has a molecular weight of 301.79 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-Dichloro-3-ethylpentan-2-one--lambda~2~-stannane (1/1) is sourced from PubChem (CID 71393770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).