butan-2-one;dichlorocobalt

C4H8Cl2CoO — CID 158828987

IUPACbutan-2-one;dichlorocobalt
SMILESCCC(C)=O.Cl[Co]Cl
InChIInChI=1S/C4H8O.2ClH.Co/c1-3-4(2)5;;;/h3H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyIWUPITULOSRSIG-UHFFFAOYSA-L
MW201.95 g/mol
LogP2.36
Rot. Bonds1

About butan-2-one;dichlorocobalt

butan-2-one;dichlorocobalt (PubChem CID 158828987) has the molecular formula C4H8Cl2CoO and a molecular weight of 201.95 g/mol. Its IUPAC name is butan-2-one;dichlorocobalt.

Molecular Properties

Compound Namebutan-2-one;dichlorocobalt
PubChem CID158828987
Molecular FormulaC4H8Cl2CoO
Molecular Weight201.95 g/mol
Exact Mass200.93
IUPAC Namebutan-2-one;dichlorocobalt
SMILESCCC(C)=O.Cl[Co]Cl
InChIInChI=1S/C4H8O.2ClH.Co/c1-3-4(2)5;;;/h3H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyIWUPITULOSRSIG-UHFFFAOYSA-L
XLogP2.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.95
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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butan-2-one;methane;propan-2-one
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butane-2,3-dione;butan-2-one
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CID 88852757

Frequently Asked Questions

What is the IUPAC name of butan-2-one;dichlorocobalt?
The IUPAC name of butan-2-one;dichlorocobalt (CID 158828987) is butan-2-one;dichlorocobalt.
What is the SMILES notation for butan-2-one;dichlorocobalt?
The canonical SMILES for butan-2-one;dichlorocobalt is CCC(C)=O.Cl[Co]Cl.
What is the InChIKey of butan-2-one;dichlorocobalt?
The InChIKey is IWUPITULOSRSIG-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8O.2ClH.Co/c1-3-4(2)5;;;/h3H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of butan-2-one;dichlorocobalt?
butan-2-one;dichlorocobalt has a molecular weight of 201.95 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;dichlorocobalt is sourced from PubChem (CID 158828987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).