copper bis(3-methylpentan-2-olate)

C12H26CuO2 — CID 87166052

IUPACcopper bis(3-methylpentan-2-olate)
SMILESCCC(C)C(C)[O-].CCC(C)C(C)[O-].[Cu+2]
InChIInChI=1S/2C6H13O.Cu/c2*1-4-5(2)6(3)7;/h2*5-6H,4H2,1-3H3;/q2*-1;+2
InChIKeyDYTIPICRFIOVQY-UHFFFAOYSA-N
MW265.88 g/mol
LogP1.56
Rot. Bonds4

About copper bis(3-methylpentan-2-olate)

copper bis(3-methylpentan-2-olate) (PubChem CID 87166052) has the molecular formula C12H26CuO2 and a molecular weight of 265.88 g/mol. Its IUPAC name is copper bis(3-methylpentan-2-olate).

Molecular Properties

Compound Namecopper bis(3-methylpentan-2-olate)
PubChem CID87166052
Molecular FormulaC12H26CuO2
Molecular Weight265.88 g/mol
Exact Mass265.12
IUPAC Namecopper bis(3-methylpentan-2-olate)
SMILESCCC(C)C(C)[O-].CCC(C)C(C)[O-].[Cu+2]
InChIInChI=1S/2C6H13O.Cu/c2*1-4-5(2)6(3)7;/h2*5-6H,4H2,1-3H3;/q2*-1;+2
InChIKeyDYTIPICRFIOVQY-UHFFFAOYSA-N
XLogP1.56
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.88
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
(4R)-3-ethyl-4-methylhexane
CID 59954491
trilithium;tris(butan-2-olate)
CID 162372928
CID 91437014
CID 91437014
(4S)-3,4-dimethylhexane;methyliodanuidylmethane
CID 168990410
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
(2S,3R)-3-methylpentan-2-ol
CID 6993006
(4S)-2,3,4-trimethylhexane
CID 58359072
(3R,4R,5R,6S)-3,6-dimethyloctane-4,5-diamine
CID 101057431
(2S,3S)-2-iodo-3-methylpentane
CID 88913110
2,3-dimethylpentane;ethane;methane
CID 143379754

Frequently Asked Questions

What is the IUPAC name of copper bis(3-methylpentan-2-olate)?
The IUPAC name of copper bis(3-methylpentan-2-olate) (CID 87166052) is copper bis(3-methylpentan-2-olate).
What is the SMILES notation for copper bis(3-methylpentan-2-olate)?
The canonical SMILES for copper bis(3-methylpentan-2-olate) is CCC(C)C(C)[O-].CCC(C)C(C)[O-].[Cu+2].
What is the InChIKey of copper bis(3-methylpentan-2-olate)?
The InChIKey is DYTIPICRFIOVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13O.Cu/c2*1-4-5(2)6(3)7;/h2*5-6H,4H2,1-3H3;/q2*-1;+2.
What are the key properties of copper bis(3-methylpentan-2-olate)?
copper bis(3-methylpentan-2-olate) has a molecular weight of 265.88 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(3-methylpentan-2-olate) is sourced from PubChem (CID 87166052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).